diff --git a/Core/Computation/ParticleLayoutComputation.cpp b/Core/Computation/ParticleLayoutComputation.cpp
index 26db9d2a9f0fe84cd815412c77d0a396d3a66afa..1397aed4a96508b06e3bd03ea0c211ef9a119261 100644
--- a/Core/Computation/ParticleLayoutComputation.cpp
+++ b/Core/Computation/ParticleLayoutComputation.cpp
@@ -40,15 +40,11 @@ processedInterferenceFunction(const ProcessedLayout& layout, const SimulationOpt
if (p_radial_para && p_radial_para->kappa() > 0.0) {
double kappa = p_radial_para->kappa();
- result = std::make_unique<SSCApproximationStrategy>(weighted_formfactors, p_iff, sim_params,
- polarized, kappa);
- } else {
- result = std::make_unique<DecouplingApproximationStrategy>(weighted_formfactors, p_iff,
- sim_params, polarized);
+ return std::make_unique<SSCApproximationStrategy>(weighted_formfactors, p_iff, sim_params,
+ polarized, kappa);
}
- if (!result)
- throw Exceptions::ClassInitializationException("Could not create appropriate result");
- return result;
+ return std::make_unique<DecouplingApproximationStrategy>(weighted_formfactors, p_iff,
+ sim_params, polarized);
}
} // namespace
diff --git a/Core/Computation/ProcessedLayout.cpp b/Core/Computation/ProcessedLayout.cpp
index 045e881448c39562c0501a8ec5a8bd28548fc9ab..1c11512269566b5259b2cd24d6753df7e97a41c5 100644
--- a/Core/Computation/ProcessedLayout.cpp
+++ b/Core/Computation/ProcessedLayout.cpp
@@ -14,7 +14,7 @@
#include "Core/Computation/ProcessedLayout.h"
#include "Sample/Aggregate/IInterferenceFunction.h"
-#include "Sample/Correlations/ILayout.h"
+#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/Fresnel/FormFactorCoherentSum.h"
#include "Sample/Particle/IParticle.h"
#include "Sample/Scattering/FormFactorBAPol.h"
@@ -28,7 +28,7 @@ namespace
void ScaleRegionMap(std::map<size_t, std::vector<HomogeneousRegion>>& region_map, double factor);
}
-ProcessedLayout::ProcessedLayout(const ILayout& layout, const std::vector<Slice>& slices,
+ProcessedLayout::ProcessedLayout(const ParticleLayout& layout, const std::vector<Slice>& slices,
double z_ref, const IFresnelMap* p_fresnel_map, bool polarized)
: m_fresnel_map(p_fresnel_map), m_polarized(polarized)
{
@@ -76,8 +76,8 @@ std::map<size_t, std::vector<HomogeneousRegion>> ProcessedLayout::regionMap() co
ProcessedLayout::~ProcessedLayout() = default;
-void ProcessedLayout::collectFormFactors(const ILayout& layout, const std::vector<Slice>& slices,
- double z_ref)
+void ProcessedLayout::collectFormFactors(const ParticleLayout& layout,
+ const std::vector<Slice>& slices, double z_ref)
{
double layout_abundance = layout.getTotalAbundance();
for (auto p_particle : layout.particles()) {
diff --git a/Core/Computation/ProcessedLayout.h b/Core/Computation/ProcessedLayout.h
index 54c01e3aa1f0619aa16b8e4c3f6542fb4543bd08..1cf8012537a4f1c181a307a2df762efee33454cf 100644
--- a/Core/Computation/ProcessedLayout.h
+++ b/Core/Computation/ProcessedLayout.h
@@ -23,7 +23,7 @@ class FormFactorCoherentSum;
struct HomogeneousRegion;
class IFresnelMap;
class IInterferenceFunction;
-class ILayout;
+class ParticleLayout;
class IParticle;
class Slice;
@@ -37,7 +37,7 @@ class Slice;
class ProcessedLayout
{
public:
- ProcessedLayout(const ILayout& layout, const std::vector<Slice>& slices, double z_ref,
+ ProcessedLayout(const ParticleLayout& layout, const std::vector<Slice>& slices, double z_ref,
const IFresnelMap* p_fresnel_map, bool polarized);
ProcessedLayout(ProcessedLayout&& other);
~ProcessedLayout();
@@ -49,7 +49,8 @@ public:
std::map<size_t, std::vector<HomogeneousRegion>> regionMap() const;
private:
- void collectFormFactors(const ILayout& layout, const std::vector<Slice>& slices, double z_ref);
+ void collectFormFactors(const ParticleLayout& layout, const std::vector<Slice>& slices,
+ double z_ref);
FormFactorCoherentSum processParticle(const IParticle& particle,
const std::vector<Slice>& slices, double z_ref);
void mergeRegionMap(const std::map<size_t, std::vector<HomogeneousRegion>>& region_map);
diff --git a/Core/Export/OrderedMap.h b/Core/Export/OrderedMap.h
index 0fc22197462f39398ce8a456bd1cff5554be947e..c96b225103da76c30bbf4591c94f3bffea351596 100644
--- a/Core/Export/OrderedMap.h
+++ b/Core/Export/OrderedMap.h
@@ -65,20 +65,16 @@ public:
iterator find(const Key& key)
{
- iterator result = m_list.end();
- if (m_map.find(key) != m_map.end()) {
- result = m_map[key];
- }
- return result;
+ if (m_map.find(key) != m_map.end())
+ return m_map[key];
+ return m_list.end();
}
const_iterator find(const Key& key) const
{
- const_iterator result = m_list.end();
- if (m_map.find(key) != m_map.end()) {
- result = m_map[key];
- }
- return result;
+ if (m_map.find(key) != m_map.end())
+ return m_map[key];
+ return m_list.end();
}
size_t erase(const Key& key)
@@ -95,9 +91,8 @@ public:
const Object& value(const Key& key) const
{
typename map_t::const_iterator mit = m_map.find(key);
- if (mit == m_map.end()) {
+ if (mit == m_map.end())
throw std::runtime_error("OrderedMap::value() -> No such key");
- }
const_iterator it = mit->second;
return (*it).second;
}
diff --git a/Core/Export/SampleLabelHandler.cpp b/Core/Export/SampleLabelHandler.cpp
index e117c58ece483c247cc53e208fd3c2adf6fd16dc..05a58d3d80eb6d2356016bcbe1a4aa0b182565fb 100644
--- a/Core/Export/SampleLabelHandler.cpp
+++ b/Core/Export/SampleLabelHandler.cpp
@@ -43,9 +43,9 @@ std::string SampleLabelHandler::labelLayer(const Layer* layer)
return m_LayerLabel[layer];
}
-std::string SampleLabelHandler::labelLayout(const ILayout* layout)
+std::string SampleLabelHandler::labelLayout(const ParticleLayout* layout)
{
- return m_ILayoutLabel[layout];
+ return m_ParticleLayoutLabel[layout];
}
std::string SampleLabelHandler::labelMaterial(const Material* mat)
@@ -53,9 +53,14 @@ std::string SampleLabelHandler::labelMaterial(const Material* mat)
return m_MaterialLabel[mat];
}
-std::string SampleLabelHandler::labelLattice(const Lattice* lat)
+std::string SampleLabelHandler::labelLattice2D(const Lattice2D* lat)
{
- return m_LatticeLabel[lat];
+ return m_Lattice2DLabel[lat];
+}
+
+std::string SampleLabelHandler::labelLattice3D(const Lattice3D* lat)
+{
+ return m_Lattice3DLabel[lat];
}
std::string SampleLabelHandler::labelMultiLayer(const MultiLayer* ml)
@@ -107,16 +112,28 @@ void SampleLabelHandler::insertInterferenceFunction(const IInterferenceFunction*
m_InterferenceFunctionLabel.insert(sample, label);
}
+void SampleLabelHandler::insertLattice2D(const Lattice2D* sample)
+{
+ std::string label = "lattice2D_" + std::to_string(m_Lattice2DLabel.size() + 1);
+ m_Lattice2DLabel.insert(sample, label);
+}
+
+void SampleLabelHandler::insertLattice3D(const Lattice3D* sample)
+{
+ std::string label = "lattice3D_" + std::to_string(m_Lattice3DLabel.size() + 1);
+ m_Lattice3DLabel.insert(sample, label);
+}
+
void SampleLabelHandler::insertLayer(const Layer* sample)
{
std::string label = "layer_" + std::to_string(m_LayerLabel.size() + 1);
m_LayerLabel.insert(sample, label);
}
-void SampleLabelHandler::insertLayout(const ILayout* sample)
+void SampleLabelHandler::insertLayout(const ParticleLayout* sample)
{
- std::string label = "layout_" + std::to_string(m_ILayoutLabel.size() + 1);
- m_ILayoutLabel.insert(sample, label);
+ std::string label = "layout_" + std::to_string(m_ParticleLayoutLabel.size() + 1);
+ m_ParticleLayoutLabel.insert(sample, label);
}
void SampleLabelHandler::insertMaterial(const Material* mat)
@@ -136,12 +153,6 @@ void SampleLabelHandler::insertMaterial(const Material* mat)
m_MaterialLabel.insert(mat, label);
}
-void SampleLabelHandler::insertLattice(const Lattice* sample)
-{
- std::string label = "lattice_" + std::to_string(m_LatticeLabel.size() + 1);
- m_LatticeLabel.insert(sample, label);
-}
-
void SampleLabelHandler::insertMesoCrystal(const MesoCrystal* sample)
{
std::string label = "mesocrystal_" + std::to_string(m_MesoCrystalLabel.size() + 1);
diff --git a/Core/Export/SampleLabelHandler.h b/Core/Export/SampleLabelHandler.h
index e93b0a8f65391e02f0fe729851823207569440ab..108708f7585db40dd86863253484b2a24b9480d9 100644
--- a/Core/Export/SampleLabelHandler.h
+++ b/Core/Export/SampleLabelHandler.h
@@ -22,10 +22,11 @@ class Crystal;
class IAbstractParticle;
class IFormFactor;
class IInterferenceFunction;
-class ILayout;
+class ParticleLayout;
class Material;
class IRotation;
-class Lattice;
+class Lattice2D;
+class Lattice3D;
class Layer;
class LayerRoughness;
class MultiLayer;
@@ -49,9 +50,10 @@ public:
typedef LabelMap<const IFormFactor*> formfactors_t;
typedef LabelMap<const IInterferenceFunction*> interferences_t;
typedef LabelMap<const Layer*> layers_t;
- typedef LabelMap<const ILayout*> layouts_t;
+ typedef LabelMap<const ParticleLayout*> layouts_t;
typedef LabelMap<const Material*> materials_t;
- typedef LabelMap<const Lattice*> lattices_t;
+ typedef LabelMap<const Lattice2D*> lattices2D_t;
+ typedef LabelMap<const Lattice3D*> lattices3D_t;
typedef LabelMap<const MesoCrystal*> mesocrystals_t;
typedef LabelMap<const MultiLayer*> multilayers_t;
typedef LabelMap<const ParticleComposition*> particlecompositions_t;
@@ -66,9 +68,10 @@ public:
formfactors_t* formFactorMap() { return &m_FormFactorLabel; }
interferences_t* interferenceFunctionMap() { return &m_InterferenceFunctionLabel; }
layers_t* layerMap() { return &m_LayerLabel; }
- layouts_t* particleLayoutMap() { return &m_ILayoutLabel; }
+ layouts_t* particleLayoutMap() { return &m_ParticleLayoutLabel; }
materials_t* materialMap() { return &m_MaterialLabel; }
- lattices_t* latticeMap() { return &m_LatticeLabel; }
+ lattices2D_t* lattice2DMap() { return &m_Lattice2DLabel; }
+ lattices3D_t* lattice3DMap() { return &m_Lattice3DLabel; }
mesocrystals_t* mesocrystalMap() { return &m_MesoCrystalLabel; }
multilayers_t* multiLayerMap() { return &m_MultiLayerLabel; }
particlecompositions_t* particleCompositionMap() { return &m_ParticleCompositionLabel; }
@@ -82,9 +85,10 @@ public:
std::string labelFormFactor(const IFormFactor* sample);
std::string labelInterferenceFunction(const IInterferenceFunction* sample);
std::string labelLayer(const Layer* sample);
- std::string labelLayout(const ILayout* sample);
+ std::string labelLayout(const ParticleLayout* sample);
std::string labelMaterial(const Material* sample);
- std::string labelLattice(const Lattice* sample);
+ std::string labelLattice2D(const Lattice2D* sample);
+ std::string labelLattice3D(const Lattice3D* sample);
std::string labelMultiLayer(const MultiLayer* sample);
std::string labelParticle(const IAbstractParticle* sample);
std::string labelRotation(const IRotation* sample);
@@ -94,9 +98,10 @@ public:
void insertFormFactor(const IFormFactor* sample);
void insertInterferenceFunction(const IInterferenceFunction* sample);
void insertLayer(const Layer* sample);
- void insertLayout(const ILayout* sample);
+ void insertLayout(const ParticleLayout* sample);
void insertMaterial(const Material* sample);
- void insertLattice(const Lattice* sample);
+ void insertLattice2D(const Lattice2D* sample);
+ void insertLattice3D(const Lattice3D* sample);
void insertMesoCrystal(const MesoCrystal* sample);
void insertMultiLayer(const MultiLayer* sample);
void insertParticleComposition(const ParticleComposition* sample);
@@ -111,9 +116,10 @@ private:
formfactors_t m_FormFactorLabel;
interferences_t m_InterferenceFunctionLabel;
layers_t m_LayerLabel;
- layouts_t m_ILayoutLabel;
+ layouts_t m_ParticleLayoutLabel;
materials_t m_MaterialLabel;
- lattices_t m_LatticeLabel;
+ lattices2D_t m_Lattice2DLabel;
+ lattices3D_t m_Lattice3DLabel;
mesocrystals_t m_MesoCrystalLabel;
multilayers_t m_MultiLayerLabel;
particlecompositions_t m_ParticleCompositionLabel;
diff --git a/Core/Export/SampleToPython.cpp b/Core/Export/SampleToPython.cpp
index 4426a7dcaf9b2897ddbeb7264862785a484c9c75..11d9ef1d0632680cbcd0e74f0e5e64929c3d875c 100644
--- a/Core/Export/SampleToPython.cpp
+++ b/Core/Export/SampleToPython.cpp
@@ -54,7 +54,7 @@ void SampleToPython::initLabels(const MultiLayer& multilayer)
m_label->insertRoughness(x);
for (auto x : INodeUtils::AllDescendantsOfType<IFormFactor>(multilayer))
m_label->insertFormFactor(x);
- for (auto x : INodeUtils::AllDescendantsOfType<ILayout>(multilayer))
+ for (auto x : INodeUtils::AllDescendantsOfType<ParticleLayout>(multilayer))
m_label->insertLayout(x);
for (auto x : INodeUtils::AllDescendantsOfType<IInterferenceFunction>(multilayer))
m_label->insertInterferenceFunction(x);
@@ -66,8 +66,10 @@ void SampleToPython::initLabels(const MultiLayer& multilayer)
m_label->insertParticleComposition(x);
for (auto x : INodeUtils::AllDescendantsOfType<ParticleDistribution>(multilayer))
m_label->insertParticleDistribution(x);
- for (auto x : INodeUtils::AllDescendantsOfType<Lattice>(multilayer))
- m_label->insertLattice(x);
+ for (auto x : INodeUtils::AllDescendantsOfType<Lattice2D>(multilayer))
+ m_label->insertLattice2D(x);
+ for (auto x : INodeUtils::AllDescendantsOfType<Lattice3D>(multilayer))
+ m_label->insertLattice3D(x);
for (auto x : INodeUtils::AllDescendantsOfType<Crystal>(multilayer))
m_label->insertCrystal(x);
for (auto x : INodeUtils::AllDescendantsOfType<MesoCrystal>(multilayer))
@@ -84,7 +86,8 @@ std::string SampleToPython::defineGetSample() const
{
return "def " + pyfmt::getSampleFunctionName() + "():\n" + defineMaterials() + defineLayers()
+ defineFormFactors() + defineParticles() + defineCoreShellParticles()
- + defineParticleCompositions() + defineLattices() + defineCrystals()
+ + defineParticleCompositions() + defineLattices2D() + defineLattices3D()
+ + defineCrystals()
+ defineMesoCrystals() + defineParticleDistributions() + defineInterferenceFunctions()
+ defineParticleLayouts() + defineRoughnesses() + addLayoutsToLayers()
+ defineMultiLayers() + "\n\n";
@@ -101,29 +104,29 @@ std::string SampleToPython::defineMaterials() const
return "# No Materials.\n\n";
std::ostringstream result;
result << std::setprecision(12);
- result << indent() << "# Defining Materials\n";
+ result << indent() << "# Define Materials\n";
std::set<std::string> visitedMaterials;
for (auto it = themap->begin(); it != themap->end(); ++it) {
if (visitedMaterials.find(it->second) != visitedMaterials.end())
continue;
visitedMaterials.insert(it->second);
- const Material* p_material = it->first;
- const auto factory_name = factory_names.find(p_material->typeID());
+ const Material* material = it->first;
+ const auto factory_name = factory_names.find(material->typeID());
if (factory_name == factory_names.cend())
throw std::runtime_error(
"Error in ExportToPython::defineMaterials(): unknown material type");
- const complex_t& material_data = p_material->materialData();
- if (p_material->isScalarMaterial()) {
- result << indent() << m_label->labelMaterial(p_material) << " = ba."
- << factory_name->second << "(\"" << p_material->getName() << "\", "
+ const complex_t& material_data = material->materialData();
+ if (material->isScalarMaterial()) {
+ result << indent() << m_label->labelMaterial(material) << " = ba."
+ << factory_name->second << "(\"" << material->getName() << "\", "
<< pyfmt::printDouble(material_data.real()) << ", "
<< pyfmt::printDouble(material_data.imag()) << ")\n";
} else {
- kvector_t magnetic_field = p_material->magnetization();
+ kvector_t magnetic_field = material->magnetization();
result << indent() << "magnetic_field = kvector_t(" << magnetic_field.x() << ", "
<< magnetic_field.y() << ", " << magnetic_field.z() << ")\n";
- result << indent() << m_label->labelMaterial(p_material) << " = ba."
- << factory_name->second << "(\"" << p_material->getName();
+ result << indent() << m_label->labelMaterial(material) << " = ba."
+ << factory_name->second << "(\"" << material->getName();
result << "\", " << pyfmt::printDouble(material_data.real()) << ", "
<< pyfmt::printDouble(material_data.imag()) << ", "
<< "magnetic_field)\n";
@@ -139,7 +142,7 @@ std::string SampleToPython::defineLayers() const
return "# No Layers.\n\n";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Layers\n";
+ result << "\n" << indent() << "# Define Layers\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
const Layer* layer = it->first;
result << indent() << it->second << " = ba.Layer("
@@ -161,11 +164,11 @@ std::string SampleToPython::defineFormFactors() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Form Factors\n";
+ result << "\n" << indent() << "# Define Form Factors\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const IFormFactor* p_ff = it->first;
- result << indent() << it->second << " = ba.FormFactor" << p_ff->getName() << "("
- << pyfmt2::argumentList(p_ff) << ")\n";
+ const IFormFactor* ff = it->first;
+ result << indent() << it->second << " = ba.FormFactor" << ff->getName() << "("
+ << pyfmt2::argumentList(ff) << ")\n";
}
return result.str();
}
@@ -177,18 +180,18 @@ std::string SampleToPython::defineParticles() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Particles\n";
+ result << "\n" << indent() << "# Define Particles\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const Particle* p_particle = it->first;
+ const Particle* particle = it->first;
std::string particle_name = it->second;
- auto p_ff = INodeUtils::OnlyChildOfType<IFormFactor>(*p_particle);
- if (!p_ff)
+ auto ff = INodeUtils::OnlyChildOfType<IFormFactor>(*particle);
+ if (!ff)
continue;
result << indent() << particle_name << " = ba.Particle("
- << m_label->labelMaterial(p_particle->material()) << ", "
- << m_label->labelFormFactor(p_ff) << ")\n";
- setRotationInformation(p_particle, particle_name, result);
- setPositionInformation(p_particle, particle_name, result);
+ << m_label->labelMaterial(particle->material()) << ", "
+ << m_label->labelFormFactor(ff) << ")\n";
+ setRotationInformation(particle, particle_name, result);
+ setPositionInformation(particle, particle_name, result);
}
return result.str();
}
@@ -200,16 +203,16 @@ std::string SampleToPython::defineCoreShellParticles() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Core Shell Particles\n";
+ result << "\n" << indent() << "# Define Core Shell Particles\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const ParticleCoreShell* p_coreshell = it->first;
+ const ParticleCoreShell* coreshell = it->first;
result << "\n"
<< indent() << it->second << " = ba.ParticleCoreShell("
- << m_label->labelParticle(p_coreshell->shellParticle()) << ", "
- << m_label->labelParticle(p_coreshell->coreParticle()) << ")\n";
+ << m_label->labelParticle(coreshell->shellParticle()) << ", "
+ << m_label->labelParticle(coreshell->coreParticle()) << ")\n";
std::string core_shell_name = it->second;
- setRotationInformation(p_coreshell, core_shell_name, result);
- setPositionInformation(p_coreshell, core_shell_name, result);
+ setRotationInformation(coreshell, core_shell_name, result);
+ setPositionInformation(coreshell, core_shell_name, result);
}
return result.str();
}
@@ -222,15 +225,15 @@ std::string SampleToPython::defineParticleDistributions() const
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining particles with parameter following a distribution\n";
+ result << "\n" << indent() << "# Define particles with parameter following a distribution\n";
int index(1);
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const ParticleDistribution* p_particle_distr = it->first;
+ const ParticleDistribution* particle_distr = it->first;
- const std::string units = p_particle_distr->mainUnits();
+ const std::string units = particle_distr->mainUnits();
- ParameterDistribution par_distr = p_particle_distr->parameterDistribution();
+ ParameterDistribution par_distr = particle_distr->parameterDistribution();
// building distribution functions
std::string s_distr = "distr_" + std::to_string(index);
@@ -252,11 +255,11 @@ std::string SampleToPython::defineParticleDistributions() const
result << "\n";
}
- auto p_particle = INodeUtils::OnlyChildOfType<IParticle>(*p_particle_distr);
- if (!p_particle)
+ auto particle = INodeUtils::OnlyChildOfType<IParticle>(*particle_distr);
+ if (!particle)
continue;
result << indent() << it->second << " = ba.ParticleDistribution("
- << m_label->labelParticle(p_particle) << ", " << s_par_distr << ")\n";
+ << m_label->labelParticle(particle) << ", " << s_par_distr << ")\n";
index++;
}
return result.str();
@@ -269,37 +272,58 @@ std::string SampleToPython::defineParticleCompositions() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining composition of particles at specific positions\n";
+ result << "\n" << indent() << "# Define composition of particles at specific positions\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const ParticleComposition* p_particle_composition = it->first;
+ const ParticleComposition* particle_composition = it->first;
std::string particle_composition_name = it->second;
result << indent() << particle_composition_name << " = ba.ParticleComposition()\n";
- auto particle_list = INodeUtils::ChildNodesOfType<IParticle>(*p_particle_composition);
- for (auto p_particle : particle_list) {
+ auto particle_list = INodeUtils::ChildNodesOfType<IParticle>(*particle_composition);
+ for (auto particle : particle_list) {
result << indent() << particle_composition_name << ".addParticle("
- << m_label->labelParticle(p_particle) << ")\n";
+ << m_label->labelParticle(particle) << ")\n";
}
- setRotationInformation(p_particle_composition, particle_composition_name, result);
- setPositionInformation(p_particle_composition, particle_composition_name, result);
+ setRotationInformation(particle_composition, particle_composition_name, result);
+ setPositionInformation(particle_composition, particle_composition_name, result);
}
return result.str();
}
-std::string SampleToPython::defineLattices() const
+std::string SampleToPython::defineLattices2D() const
{
- const auto themap = m_label->latticeMap();
+ const auto themap = m_label->lattice2DMap();
if (themap->empty())
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining 3D lattices\n";
+ result << "\n" << indent() << "# Define 2D lattices\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const Lattice* p_lattice = it->first;
+ const Lattice2D* lattice = it->first;
std::string lattice_name = it->second;
- kvector_t bas_a = p_lattice->getBasisVectorA();
- kvector_t bas_b = p_lattice->getBasisVectorB();
- kvector_t bas_c = p_lattice->getBasisVectorC();
- result << indent() << lattice_name << " = ba.Lattice(\n";
+ result << indent() << lattice_name << " = ba.BasicLattice(\n";
+ result << indent() << indent()
+ << pyfmt::printNm(lattice->length1()) << ", "
+ << pyfmt::printNm(lattice->length2()) << ", "
+ << pyfmt::printDegrees(lattice->latticeAngle()) << ", "
+ << pyfmt::printDegrees(lattice->rotationAngle()) << "),\n";
+ }
+ return result.str();
+}
+
+std::string SampleToPython::defineLattices3D() const
+{
+ const auto themap = m_label->lattice3DMap();
+ if (themap->empty())
+ return "";
+ std::ostringstream result;
+ result << std::setprecision(12);
+ result << "\n" << indent() << "# Define 3D lattices\n";
+ for (auto it = themap->begin(); it != themap->end(); ++it) {
+ const Lattice3D* lattice = it->first;
+ std::string lattice_name = it->second;
+ kvector_t bas_a = lattice->getBasisVectorA();
+ kvector_t bas_b = lattice->getBasisVectorB();
+ kvector_t bas_c = lattice->getBasisVectorC();
+ result << indent() << lattice_name << " = ba.Lattice3D(\n";
result << indent() << indent() << "ba.kvector_t(" << pyfmt::printNm(bas_a.x()) << ", "
<< pyfmt::printNm(bas_a.y()) << ", " << pyfmt::printNm(bas_a.z()) << "),\n";
result << indent() << indent() << "ba.kvector_t(" << pyfmt::printNm(bas_b.x()) << ", "
@@ -317,17 +341,17 @@ std::string SampleToPython::defineCrystals() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining crystals: basis particle + lattice\n";
+ result << "\n" << indent() << "# Define crystals: basis particle + lattice\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const Crystal* p_crystal = it->first;
+ const Crystal* crystal = it->first;
std::string crystal_name = it->second;
- auto p_lattice = INodeUtils::OnlyChildOfType<Lattice>(*p_crystal);
- auto p_basis = INodeUtils::OnlyChildOfType<IParticle>(*p_crystal);
- if (!p_lattice || !p_basis)
+ auto lattice = INodeUtils::OnlyChildOfType<Lattice3D>(*crystal);
+ auto basis = INodeUtils::OnlyChildOfType<IParticle>(*crystal);
+ if (!lattice || !basis)
continue;
result << indent() << crystal_name << " = ba.Crystal(";
- result << m_label->labelParticle(p_basis) << ", ";
- result << m_label->labelLattice(p_lattice) << ")\n";
+ result << m_label->labelParticle(basis) << ", ";
+ result << m_label->labelLattice3D(lattice) << ")\n";
}
return result.str();
}
@@ -339,19 +363,19 @@ std::string SampleToPython::defineMesoCrystals() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining mesocrystals\n";
+ result << "\n" << indent() << "# Define mesocrystals\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const MesoCrystal* p_mesocrystal = it->first;
+ const MesoCrystal* mesocrystal = it->first;
std::string mesocrystal_name = it->second;
- auto p_crystal = INodeUtils::OnlyChildOfType<Crystal>(*p_mesocrystal);
- auto p_outer_shape = INodeUtils::OnlyChildOfType<IFormFactor>(*p_mesocrystal);
- if (!p_crystal || !p_outer_shape)
+ auto crystal = INodeUtils::OnlyChildOfType<Crystal>(*mesocrystal);
+ auto outer_shape = INodeUtils::OnlyChildOfType<IFormFactor>(*mesocrystal);
+ if (!crystal || !outer_shape)
continue;
result << indent() << mesocrystal_name << " = ba.MesoCrystal(";
- result << m_label->labelCrystal(p_crystal) << ", ";
- result << m_label->labelFormFactor(p_outer_shape) << ")\n";
- setRotationInformation(p_mesocrystal, mesocrystal_name, result);
- setPositionInformation(p_mesocrystal, mesocrystal_name, result);
+ result << m_label->labelCrystal(crystal) << ", ";
+ result << m_label->labelFormFactor(outer_shape) << ")\n";
+ setRotationInformation(mesocrystal, mesocrystal_name, result);
+ setPositionInformation(mesocrystal, mesocrystal_name, result);
}
return result.str();
}
@@ -363,91 +387,91 @@ std::string SampleToPython::defineInterferenceFunctions() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Interference Functions\n";
+ result << "\n" << indent() << "# Define Interference Functions\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
const IInterferenceFunction* interference = it->first;
if (dynamic_cast<const InterferenceFunctionNone*>(interference))
result << indent() << it->second << " = ba.InterferenceFunctionNone()\n";
- else if (auto p_lattice_1d =
+ else if (auto lattice_1d =
dynamic_cast<const InterferenceFunction1DLattice*>(interference)) {
result << indent() << it->second << " = ba.InterferenceFunction1DLattice("
- << pyfmt::printNm(p_lattice_1d->getLength()) << ", "
- << pyfmt::printDegrees(p_lattice_1d->getXi()) << ")\n";
+ << pyfmt::printNm(lattice_1d->getLength()) << ", "
+ << pyfmt::printDegrees(lattice_1d->getXi()) << ")\n";
- auto pdf = INodeUtils::OnlyChildOfType<IFTDecayFunction1D>(*p_lattice_1d);
+ auto pdf = INodeUtils::OnlyChildOfType<IFTDecayFunction1D>(*lattice_1d);
if (pdf->decayLength() != 0.0)
result << indent() << it->second << "_pdf = ba." << pdf->getName() << "("
<< pyfmt2::argumentList(pdf) << ")\n"
<< indent() << it->second << ".setDecayFunction(" << it->second << "_pdf)\n";
- } else if (auto p_para_radial =
+ } else if (auto para_radial =
dynamic_cast<const InterferenceFunctionRadialParaCrystal*>(interference)) {
result << indent() << it->second << " = ba.InterferenceFunctionRadialParaCrystal("
- << pyfmt::printNm(p_para_radial->peakDistance()) << ", "
- << pyfmt::printNm(p_para_radial->dampingLength()) << ")\n";
+ << pyfmt::printNm(para_radial->peakDistance()) << ", "
+ << pyfmt::printNm(para_radial->dampingLength()) << ")\n";
- if (p_para_radial->kappa() != 0.0)
+ if (para_radial->kappa() != 0.0)
result << indent() << it->second << ".setKappa("
- << pyfmt::printDouble(p_para_radial->kappa()) << ")\n";
+ << pyfmt::printDouble(para_radial->kappa()) << ")\n";
- if (p_para_radial->domainSize() != 0.0)
+ if (para_radial->domainSize() != 0.0)
result << indent() << it->second << ".setDomainSize("
- << pyfmt::printDouble(p_para_radial->domainSize()) << ")\n";
+ << pyfmt::printDouble(para_radial->domainSize()) << ")\n";
- auto pdf = INodeUtils::OnlyChildOfType<IFTDistribution1D>(*p_para_radial);
+ auto pdf = INodeUtils::OnlyChildOfType<IFTDistribution1D>(*para_radial);
if (pdf->omega() != 0.0)
result << indent() << it->second << "_pdf = ba." << pdf->getName() << "("
<< pyfmt2::argumentList(pdf) << ")\n"
<< indent() << it->second << ".setProbabilityDistribution(" << it->second
<< "_pdf)\n";
- } else if (auto p_lattice_2d =
+ } else if (auto lattice_2d =
dynamic_cast<const InterferenceFunction2DLattice*>(interference)) {
- const Lattice2D& lattice = p_lattice_2d->lattice();
+ const Lattice2D& lattice = lattice_2d->lattice();
result << indent() << it->second << " = ba.InterferenceFunction2DLattice("
<< pyfmt::printNm(lattice.length1()) << ", " << pyfmt::printNm(lattice.length2())
<< ", " << pyfmt::printDegrees(lattice.latticeAngle()) << ", "
<< pyfmt::printDegrees(lattice.rotationAngle()) << ")\n";
- auto pdf = INodeUtils::OnlyChildOfType<IFTDecayFunction2D>(*p_lattice_2d);
+ auto pdf = INodeUtils::OnlyChildOfType<IFTDecayFunction2D>(*lattice_2d);
result << indent() << it->second << "_pdf = ba." << pdf->getName() << "("
<< pyfmt2::argumentList(pdf) << ")\n"
<< indent() << it->second << ".setDecayFunction(" << it->second << "_pdf)\n";
- if (p_lattice_2d->integrationOverXi() == true)
+ if (lattice_2d->integrationOverXi() == true)
result << indent() << it->second << ".setIntegrationOverXi(True)\n";
- } else if (auto p_lattice_2d =
+ } else if (auto lattice_2d =
dynamic_cast<const InterferenceFunctionFinite2DLattice*>(interference)) {
- const Lattice2D& lattice = p_lattice_2d->lattice();
+ const Lattice2D& lattice = lattice_2d->lattice();
result << indent() << it->second << " = ba.InterferenceFunctionFinite2DLattice("
<< pyfmt::printNm(lattice.length1()) << ", " << pyfmt::printNm(lattice.length2())
<< ", " << pyfmt::printDegrees(lattice.latticeAngle()) << ", "
<< pyfmt::printDegrees(lattice.rotationAngle()) << ", "
- << p_lattice_2d->numberUnitCells1() << ", " << p_lattice_2d->numberUnitCells2()
+ << lattice_2d->numberUnitCells1() << ", " << lattice_2d->numberUnitCells2()
<< ")\n";
- if (p_lattice_2d->integrationOverXi() == true)
+ if (lattice_2d->integrationOverXi() == true)
result << indent() << it->second << ".setIntegrationOverXi(True)\n";
- } else if (auto p_para_2d =
+ } else if (auto para_2d =
dynamic_cast<const InterferenceFunction2DParaCrystal*>(interference)) {
- std::vector<double> domainSize = p_para_2d->domainSizes();
- const Lattice2D& lattice = p_para_2d->lattice();
+ std::vector<double> domainSize = para_2d->domainSizes();
+ const Lattice2D& lattice = para_2d->lattice();
result << indent() << it->second << " = ba.InterferenceFunction2DParaCrystal("
<< pyfmt::printNm(lattice.length1()) << ", " << pyfmt::printNm(lattice.length2())
<< ", " << pyfmt::printDegrees(lattice.latticeAngle()) << ", "
<< pyfmt::printDegrees(lattice.rotationAngle()) << ", "
- << pyfmt::printNm(p_para_2d->dampingLength()) << ")\n";
+ << pyfmt::printNm(para_2d->dampingLength()) << ")\n";
if (domainSize[0] != 0.0 || domainSize[1] != 0.0)
result << indent() << it->second << ".setDomainSizes("
<< pyfmt::printNm(domainSize[0]) << ", " << pyfmt::printNm(domainSize[1])
<< ")\n";
- if (p_para_2d->integrationOverXi() == true)
+ if (para_2d->integrationOverXi() == true)
result << indent() << it->second << ".setIntegrationOverXi(True)\n";
- auto pdf_vector = INodeUtils::ChildNodesOfType<IFTDistribution2D>(*p_para_2d);
+ auto pdf_vector = INodeUtils::ChildNodesOfType<IFTDistribution2D>(*para_2d);
if (pdf_vector.size() != 2)
continue;
const IFTDistribution2D* pdf = pdf_vector[0];
@@ -461,11 +485,11 @@ std::string SampleToPython::defineInterferenceFunctions() const
<< pyfmt2::argumentList(pdf) << ")\n";
result << indent() << it->second << ".setProbabilityDistributions(" << it->second
<< "_pdf_1, " << it->second << "_pdf_2)\n";
- } else if (auto p_lattice_hd =
+ } else if (auto lattice_hd =
dynamic_cast<const InterferenceFunctionHardDisk*>(interference)) {
result << indent() << it->second << " = ba.InterferenceFunctionHardDisk("
- << pyfmt::printNm(p_lattice_hd->radius()) << ", "
- << pyfmt::printDouble(p_lattice_hd->density()) << ")\n";
+ << pyfmt::printNm(lattice_hd->radius()) << ", "
+ << pyfmt::printDouble(lattice_hd->density()) << ")\n";
} else
throw Exceptions::NotImplementedException(
"Bug: ExportToPython::defineInterferenceFunctions() called with unexpected "
@@ -486,22 +510,22 @@ std::string SampleToPython::defineParticleLayouts() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Particle Layouts and adding Particles\n";
+ result << "\n" << indent() << "# Define Particle Layouts and adding Particles\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
- const ILayout* iLayout = it->first;
+ const ParticleLayout* iLayout = it->first;
if (const ParticleLayout* particleLayout = dynamic_cast<const ParticleLayout*>(iLayout)) {
result << indent() << it->second << " = ba.ParticleLayout()\n";
auto particles = INodeUtils::ChildNodesOfType<IAbstractParticle>(*particleLayout);
- for (auto p_particle : particles) {
- double abundance = p_particle->abundance();
+ for (auto particle : particles) {
+ double abundance = particle->abundance();
result << indent() << it->second << ".addParticle("
- << m_label->labelParticle(p_particle) << ", "
+ << m_label->labelParticle(particle) << ", "
<< pyfmt::printDouble(abundance) << ")\n";
}
- if (auto p_iff = INodeUtils::OnlyChildOfType<IInterferenceFunction>(*particleLayout))
+ if (auto iff = INodeUtils::OnlyChildOfType<IInterferenceFunction>(*particleLayout))
result << indent() << it->second << ".setInterferenceFunction("
- << m_label->labelInterferenceFunction(p_iff) << ")\n";
+ << m_label->labelInterferenceFunction(iff) << ")\n";
result << indent() << it->second << ".setWeight(" << particleLayout->weight() << ")\n";
result << indent() << it->second << ".setTotalParticleSurfaceDensity("
<< particleLayout->totalParticleSurfaceDensity() << ")\n";
@@ -517,7 +541,7 @@ std::string SampleToPython::defineRoughnesses() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Roughness Parameters\n";
+ result << "\n" << indent() << "# Define Roughness Parameters\n";
for (auto it = themap->begin(); it != themap->end(); ++it)
result << indent() << it->second << " = ba.LayerRoughness("
<< pyfmt2::argumentList(it->first) << ")\n";
@@ -530,13 +554,13 @@ std::string SampleToPython::addLayoutsToLayers() const
return "";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Adding layouts to layers";
+ result << "\n" << indent() << "# Add layouts to layers";
const auto layermap = m_label->layerMap();
for (auto it = layermap->begin(); it != layermap->end(); ++it) {
const Layer* layer = it->first;
- for (auto p_layout : layer->layouts())
+ for (auto layout : layer->layouts())
result << "\n"
- << indent() << it->second << ".addLayout(" << m_label->labelLayout(p_layout)
+ << indent() << it->second << ".addLayout(" << m_label->labelLayout(layout)
<< ")\n";
}
return result.str();
@@ -549,7 +573,7 @@ std::string SampleToPython::defineMultiLayers() const
return "# No MultiLayers.\n\n";
std::ostringstream result;
result << std::setprecision(12);
- result << "\n" << indent() << "# Defining Multilayers\n";
+ result << "\n" << indent() << "# Define Multilayers\n";
for (auto it = themap->begin(); it != themap->end(); ++it) {
result << indent() << it->second << " = ba.MultiLayer()\n";
double ccl = it->first->crossCorrLength();
@@ -593,33 +617,33 @@ std::string SampleToPython::indent() const
return " ";
}
-void SampleToPython::setRotationInformation(const IParticle* p_particle, std::string name,
+void SampleToPython::setRotationInformation(const IParticle* particle, std::string name,
std::ostringstream& result) const
{
- if (p_particle->rotation()) {
- switch (p_particle->rotation()->getTransform3D().getRotationType()) {
+ if (particle->rotation()) {
+ switch (particle->rotation()->getTransform3D().getRotationType()) {
case Transform3D::EULER: {
double alpha, beta, gamma;
- p_particle->rotation()->getTransform3D().calculateEulerAngles(&alpha, &beta, &gamma);
+ particle->rotation()->getTransform3D().calculateEulerAngles(&alpha, &beta, &gamma);
result << indent() << name << "_rotation = ba.RotationEuler("
<< pyfmt::printDegrees(alpha) << ", " << pyfmt::printDegrees(beta) << ", "
<< pyfmt::printDegrees(gamma) << ")\n";
break;
}
case Transform3D::XAXIS: {
- double alpha = p_particle->rotation()->getTransform3D().calculateRotateXAngle();
+ double alpha = particle->rotation()->getTransform3D().calculateRotateXAngle();
result << indent() << name << "_rotation = ba.RotationX(" << pyfmt::printDegrees(alpha)
<< ")\n";
break;
}
case Transform3D::YAXIS: {
- double alpha = p_particle->rotation()->getTransform3D().calculateRotateYAngle();
+ double alpha = particle->rotation()->getTransform3D().calculateRotateYAngle();
result << indent() << name << "_rotation = ba.RotationY(" << pyfmt::printDegrees(alpha)
<< ")\n";
break;
}
case Transform3D::ZAXIS: {
- double alpha = p_particle->rotation()->getTransform3D().calculateRotateZAngle();
+ double alpha = particle->rotation()->getTransform3D().calculateRotateZAngle();
result << indent() << name << "_rotation = ba.RotationZ(" << pyfmt::printDegrees(alpha)
<< ")\n";
break;
@@ -629,16 +653,14 @@ void SampleToPython::setRotationInformation(const IParticle* p_particle, std::st
}
}
-void SampleToPython::setPositionInformation(const IParticle* p_particle, std::string name,
+void SampleToPython::setPositionInformation(const IParticle* particle, std::string name,
std::ostringstream& result) const
{
- kvector_t pos = p_particle->position();
- bool has_position_info = (pos != kvector_t());
-
- if (has_position_info) {
- result << indent() << name << "_position = kvector_t(" << pyfmt::printNm(pos.x()) << ", "
- << pyfmt::printNm(pos.y()) << ", " << pyfmt::printNm(pos.z()) << ")\n";
+ kvector_t pos = particle->position();
+ if (pos == kvector_t())
+ return;
- result << indent() << name << ".setPosition(" << name << "_position)\n";
- }
+ result << indent() << name << "_position = kvector_t(" << pyfmt::printNm(pos.x()) << ", "
+ << pyfmt::printNm(pos.y()) << ", " << pyfmt::printNm(pos.z()) << ")\n";
+ result << indent() << name << ".setPosition(" << name << "_position)\n";
}
diff --git a/Core/Export/SampleToPython.h b/Core/Export/SampleToPython.h
index 4f9caa5b3b39aa7e9f250df3573492aae7148b54..f60aaeaa742a80d1b108f59835826dbaadae4105 100644
--- a/Core/Export/SampleToPython.h
+++ b/Core/Export/SampleToPython.h
@@ -43,7 +43,8 @@ private:
std::string defineCoreShellParticles() const;
std::string defineParticleDistributions() const;
std::string defineParticleCompositions() const;
- std::string defineLattices() const;
+ std::string defineLattices2D() const;
+ std::string defineLattices3D() const;
std::string defineCrystals() const;
std::string defineMesoCrystals() const;
std::string defineInterferenceFunctions() const;
diff --git a/Core/Simulation/StandardSimulations.cpp b/Core/Simulation/StandardSimulations.cpp
index 39aadc5f64ac94efcfc49034ad90a8f4e5153fab..e516720542e768f85f8a0df37504b07c5e9ecc9d 100644
--- a/Core/Simulation/StandardSimulations.cpp
+++ b/Core/Simulation/StandardSimulations.cpp
@@ -49,9 +49,9 @@ const double rdet_width(20.0), rdet_height(18.0), rdet_distance(1000.0);
GISASSimulation* StandardSimulations::BasicGISAS()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(100, 0.0 * Units::degree, 2.0 * Units::degree, 100,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(100, 0.0 * Units::deg, 2.0 * Units::deg, 100, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
return result;
}
@@ -82,9 +82,9 @@ GISASSimulation* StandardSimulations::BasicPolarizedGISAS()
GISASSimulation* StandardSimulations::MiniGISAS()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(25, -2.0 * Units::degree, 2.0 * Units::degree, 25,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(25, -2.0 * Units::deg, 2.0 * Units::deg, 25, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
return result;
}
@@ -93,9 +93,9 @@ GISASSimulation* StandardSimulations::MiniGISAS()
GISASSimulation* StandardSimulations::MiniGISAS_v2()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(25, -1.0 * Units::degree, 1.0 * Units::degree, 25,
- 0.0 * Units::degree, 1.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(25, -1.0 * Units::deg, 1.0 * Units::deg, 25, 0.0 * Units::deg,
+ 1.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
return result;
}
@@ -106,8 +106,8 @@ GISASSimulation* StandardSimulations::MiniGISASBeamDivergence()
GISASSimulation* result = MiniGISAS();
DistributionLogNormal wavelength_distr(1.0 * Units::angstrom, 0.1);
- DistributionGaussian alpha_distr(0.2 * Units::degree, 0.02 * Units::degree);
- DistributionGate phi_distr(-0.1 * Units::degree, 0.02 * Units::degree);
+ DistributionGaussian alpha_distr(0.2 * Units::deg, 0.02 * Units::deg);
+ DistributionGate phi_distr(-0.1 * Units::deg, 0.02 * Units::deg);
ParameterPattern pattern1;
pattern1.beginsWith("*").add("Beam").add("Wavelength");
@@ -127,14 +127,14 @@ GISASSimulation* StandardSimulations::MiniGISASBeamDivergence()
GISASSimulation* StandardSimulations::GISASWithMasks()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(50, -1.0 * Units::degree, 1.0 * Units::degree, 50,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(50, -1.0 * Units::deg, 1.0 * Units::deg, 50, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
result->setBeamIntensity(1e+7);
result->maskAll();
// pacman
- const double deg = Units::degree;
+ const double deg = Units::deg;
result->addMask(Ellipse(0.0 * deg, 1.0 * deg, 0.5 * deg, 0.5 * deg), false);
result->addMask(Ellipse(0.11 * deg, 1.25 * deg, 0.05 * deg, 0.05 * deg), true);
@@ -219,9 +219,9 @@ GISASSimulation* StandardSimulations::MiniGISASPolarizationMM()
GISASSimulation* StandardSimulations::MiniGISASSpecularPeak()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(25, -2.0 * Units::degree, 2.0 * Units::degree, 25,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(25, -2.0 * Units::deg, 2.0 * Units::deg, 25, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
result->getOptions().setIncludeSpecular(true);
return result;
}
@@ -231,9 +231,9 @@ GISASSimulation* StandardSimulations::MiniGISASSpecularPeak()
GISASSimulation* StandardSimulations::MaxiGISAS()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(256, -2.0 * Units::degree, 2.0 * Units::degree, 256,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(256, -2.0 * Units::deg, 2.0 * Units::deg, 256, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
return result;
}
@@ -254,10 +254,10 @@ GISASSimulation* StandardSimulations::IsGISAXSSimulation1()
{
GISASSimulation* result = new GISASSimulation();
IsGISAXSDetector detector;
- detector.setDetectorParameters(100, -1.0 * Units::degree, 1.0 * Units::degree, 100,
- 0.0 * Units::degree, 2.0 * Units::degree);
+ detector.setDetectorParameters(100, -1.0 * Units::deg, 1.0 * Units::deg, 100, 0.0 * Units::deg,
+ 2.0 * Units::deg);
result->setDetector(detector);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
return result;
}
@@ -267,10 +267,10 @@ GISASSimulation* StandardSimulations::IsGISAXSSimulation2()
{
GISASSimulation* result = new GISASSimulation();
IsGISAXSDetector detector;
- detector.setDetectorParameters(100, 0.0 * Units::degree, 2.0 * Units::degree, 100,
- 0.0 * Units::degree, 2.0 * Units::degree);
+ detector.setDetectorParameters(100, 0.0 * Units::deg, 2.0 * Units::deg, 100, 0.0 * Units::deg,
+ 2.0 * Units::deg);
result->setDetector(detector);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
return result;
}
@@ -279,7 +279,7 @@ GISASSimulation* StandardSimulations::IsGISAXSSimulation2()
GISASSimulation* StandardSimulations::RectDetectorGeneric()
{
GISASSimulation* result = new GISASSimulation();
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
RectangularDetector detector(rdet_nbinsx, rdet_width, rdet_nbinsy, rdet_height);
detector.setPosition(kvector_t(rdet_distance, 10.0, 5.0), rdet_width / 2., 1.0,
@@ -294,7 +294,7 @@ GISASSimulation* StandardSimulations::RectDetectorGeneric()
GISASSimulation* StandardSimulations::RectDetectorPerpToSample()
{
GISASSimulation* result = new GISASSimulation();
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
RectangularDetector detector(rdet_nbinsx, rdet_width, rdet_nbinsy, rdet_height);
detector.setPerpendicularToSampleX(rdet_distance, rdet_width / 2., 1.0);
@@ -308,7 +308,7 @@ GISASSimulation* StandardSimulations::RectDetectorPerpToSample()
GISASSimulation* StandardSimulations::RectDetectorPerpToDirectBeam()
{
GISASSimulation* result = new GISASSimulation();
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
RectangularDetector detector(rdet_nbinsx, rdet_width, rdet_nbinsy, rdet_height);
detector.setPerpendicularToDirectBeam(rdet_distance, rdet_width / 2., 1.0);
@@ -322,7 +322,7 @@ GISASSimulation* StandardSimulations::RectDetectorPerpToDirectBeam()
GISASSimulation* StandardSimulations::RectDetectorPerpToReflectedBeam()
{
GISASSimulation* result = new GISASSimulation();
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
RectangularDetector detector(rdet_nbinsx, rdet_width, rdet_nbinsy, rdet_height);
detector.setPerpendicularToReflectedBeam(rdet_distance, rdet_width / 2., 1.0);
@@ -337,7 +337,7 @@ GISASSimulation* StandardSimulations::RectDetectorPerpToReflectedBeam()
GISASSimulation* StandardSimulations::RectDetectorPerpToReflectedBeamDpos()
{
GISASSimulation* result = new GISASSimulation();
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
RectangularDetector detector(rdet_nbinsx, rdet_width, rdet_nbinsy, rdet_height);
detector.setPerpendicularToReflectedBeam(rdet_distance);
@@ -361,13 +361,13 @@ GISASSimulation* StandardSimulations::MiniGISASMonteCarlo()
GISASSimulation* StandardSimulations::SphericalDetWithRoi()
{
GISASSimulation* result = new GISASSimulation();
- result->setDetectorParameters(40, -2.0 * Units::degree, 2.0 * Units::degree, 30,
- 0.0 * Units::degree, 3.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
- result->addMask(Rectangle(-0.5 * Units::degree, 0.3 * Units::degree, -0.2 * Units::degree,
- 0.6 * Units::degree));
- result->setRegionOfInterest(-1.5 * Units::degree, 0.25 * Units::degree, 1.5 * Units::degree,
- 1.75 * Units::degree);
+ result->setDetectorParameters(40, -2.0 * Units::deg, 2.0 * Units::deg, 30, 0.0 * Units::deg,
+ 3.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
+ result->addMask(
+ Rectangle(-0.5 * Units::deg, 0.3 * Units::deg, -0.2 * Units::deg, 0.6 * Units::deg));
+ result->setRegionOfInterest(-1.5 * Units::deg, 0.25 * Units::deg, 1.5 * Units::deg,
+ 1.75 * Units::deg);
return result;
}
@@ -478,7 +478,7 @@ SpecularSimulation* StandardSimulations::SpecularDivergentBeam()
const double min_angle = 0 * Units::deg;
const double max_angle = 5 * Units::deg;
const double wl_stddev = 0.1 * Units::angstrom;
- const double ang_stddev = 0.1 * Units::degree;
+ const double ang_stddev = 0.1 * Units::deg;
AngularSpecScan scan(wavelength, FixedBinAxis("axis", number_of_bins, min_angle, max_angle));
RangedDistributionGaussian wl_distr(n_integration_points, /*sigma_factor = */ 2.0);
@@ -644,9 +644,9 @@ DepthProbeSimulation* StandardSimulations::BasicDepthProbe()
GISASSimulation* StandardSimulations::MiniGISASFit()
{
auto* result = new GISASSimulation;
- result->setDetectorParameters(25, -2.0 * Units::degree, 2.0 * Units::degree, 25,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(25, -2.0 * Units::deg, 2.0 * Units::deg, 25, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
result->setBeamIntensity(1e6);
return result;
}
diff --git a/Examples/Demos/FitCylindersPrisms_movie.py b/Examples/Demos/FitCylindersPrisms_movie.py
index c099201bb87acf3cfbbe49d6d0934630ce7182bb..acd255944a14c87d47c1da59b92ebf5fff7945c7 100644
--- a/Examples/Demos/FitCylindersPrisms_movie.py
+++ b/Examples/Demos/FitCylindersPrisms_movie.py
@@ -154,9 +154,9 @@ class DrawObserver(IFitObserver):
ax.set_xlim(0, 10)
ax.set_ylim(0, 10)
# # plotting difference map
- # diff_map = (real_data - simulated_data)/numpy.sqrt(real_data + 1)
+ # diff = (real_data - simulated_data)/numpy.sqrt(real_data + 1)
# pylab.subplot(2, 2, 3)
- # im = pylab.imshow(diff_map, norm=matplotlib.colors.LogNorm(), extent=[-1.0, 1.0, 0, 2.0], vmin = 0.001, vmax = 1.0)
+ # im = pylab.imshow(diff, norm=matplotlib.colors.LogNorm(), extent=[-1.0, 1.0, 0, 2.0], vmin = 0.001, vmax = 1.0)
# pylab.colorbar(im)
# pylab.title('Difference map')
# # plotting parameters info
diff --git a/Examples/Demos/simul_demo_lattice1.py b/Examples/Demos/simul_demo_lattice1.py
index 7b433807041b314e360380f93b8df4bfa4b63c35..e83b8afef7e69777be7d09d0ac3e525b00bdb750 100644
--- a/Examples/Demos/simul_demo_lattice1.py
+++ b/Examples/Demos/simul_demo_lattice1.py
@@ -27,7 +27,7 @@ def RunSimulation():
particle_layout.addParticle(cylinder, 1.0)
# interference function
- interference = InterferenceFunction2DLattice.createSquare(10.0*nanometer)
+ interference = InterferenceFunction2DLattice(ba.SquareLattice(10.0*nanometer))
pdf = FTDecayFunction2DCauchy(300.0*nanometer/2.0/M_PI, 100.0*nanometer/2.0/M_PI, 0)
interference.setDecayFunction(pdf)
particle_layout.setInterferenceFunction(interference)
@@ -67,9 +67,3 @@ if __name__ == '__main__':
plt.xlabel(r'$\phi_f$', fontsize=20)
plt.ylabel(r'$\alpha_f$', fontsize=20)
plt.show()
-
-
-
-
-
-
diff --git a/Examples/Demos/simul_demo_lattice2.py b/Examples/Demos/simul_demo_lattice2.py
index 67b89d1f7ce838f39800bcc9fbe467e62c5bf34c..2e99c5e192c867b9a3c769272db7c7053f90b2ae 100644
--- a/Examples/Demos/simul_demo_lattice2.py
+++ b/Examples/Demos/simul_demo_lattice2.py
@@ -32,7 +32,7 @@ def RunSimulation():
particle_layout2.addParticle(cylinder, 1.0)
# interference function
- interference = InterferenceFunction2DLattice.createSquare(10.0*nanometer)
+ interference = InterferenceFunction2DLattice(ba.SquareLattice(10.0*nanometer))
pdf = FTDecayFunction2DCauchy(300.0*nanometer/2.0/M_PI, 100.0*nanometer/2.0/M_PI, 0)
interference.setDecayFunction(pdf)
particle_layout1.setInterferenceFunction(interference)
@@ -74,7 +74,3 @@ if __name__ == '__main__':
plt.xlabel(r'$\phi_f$', fontsize=20)
plt.ylabel(r'$\alpha_f$', fontsize=20)
plt.show()
-
-
-
-
diff --git a/Examples/cpp/CylindersAndPrisms/CylindersAndPrisms.cpp b/Examples/cpp/CylindersAndPrisms/CylindersAndPrisms.cpp
index 3eddfff5367f2efc0cace41ebc17c24792530df5..dfaa81373c26f3d83a6a558ff14c9c1ce3d6f229 100644
--- a/Examples/cpp/CylindersAndPrisms/CylindersAndPrisms.cpp
+++ b/Examples/cpp/CylindersAndPrisms/CylindersAndPrisms.cpp
@@ -37,12 +37,10 @@ int main()
ParticleLayout particle_layout;
Material particle_material = HomogeneousMaterial("Particle", 6e-4, 2e-8);
- Particle cylinder(particle_material,
- FormFactorCylinder(5 * Units::nanometer, 5 * Units::nanometer));
+ Particle cylinder(particle_material, FormFactorCylinder(5 * Units::nm, 5 * Units::nm));
particle_layout.addParticle(cylinder, 0.5);
- Particle prism(particle_material,
- FormFactorPrism3(10 * Units::nanometer, 5 * Units::nanometer));
+ Particle prism(particle_material, FormFactorPrism3(10 * Units::nm, 5 * Units::nm));
particle_layout.addParticle(prism, 0.5);
vacuum_layer.addLayout(particle_layout);
@@ -53,9 +51,9 @@ int main()
// Define the simulation
GISASSimulation simulation;
- simulation.setDetectorParameters(400, -1.0 * Units::degree, 1.0 * Units::degree, 400,
- 0.0 * Units::degree, 2.0 * Units::degree);
- simulation.setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ simulation.setDetectorParameters(400, -1.0 * Units::deg, 1.0 * Units::deg, 400,
+ 0.0 * Units::deg, 2.0 * Units::deg);
+ simulation.setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
simulation.setSample(sample);
// Run the simulation, and store the result
diff --git a/Examples/python/fitting/ex03_ExtendedExamples/custom_objective_function/custom_objective_function.py b/Examples/python/fitting/ex03_ExtendedExamples/custom_objective_function/custom_objective_function.py
index 7bf6b538dfd93597db8c1809b3a54b4f84b9540f..26c5727efef3fead00d813052204d4cdd8b88b1d 100644
--- a/Examples/python/fitting/ex03_ExtendedExamples/custom_objective_function/custom_objective_function.py
+++ b/Examples/python/fitting/ex03_ExtendedExamples/custom_objective_function/custom_objective_function.py
@@ -51,7 +51,8 @@ def get_sample(params):
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(sphere)
- interference = ba.InterferenceFunction2DLattice.createHexagonal(lattice_length)
+ interference = ba.InterferenceFunction2DLattice(
+ ba.HexagonalLattice(lattice_length))
pdf = ba.FTDecayFunction2DCauchy(10*nm, 10*nm, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_basics.py b/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_basics.py
index 04b310c0d98a205aba5bcf5ed01be42ccaa009a6..2f8f4618085a191a825f8ea6546b9e8eb4755244 100644
--- a/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_basics.py
+++ b/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_basics.py
@@ -25,7 +25,8 @@ def get_sample(params):
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(sphere)
- interference = ba.InterferenceFunction2DLattice.createHexagonal(lattice_length)
+ interference = ba.InterferenceFunction2DLattice(
+ ba.HexagonalLattice(lattice_length))
pdf = ba.FTDecayFunction2DCauchy(10*nm, 10*nm, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_with_plotting.py b/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_with_plotting.py
index fa9b864483a937b49603c02f4f3650b8e6e0427b..c05ac002ba332a89782b778b231535054c375844 100644
--- a/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_with_plotting.py
+++ b/Examples/python/fitting/ex03_ExtendedExamples/external_minimizer/lmfit_with_plotting.py
@@ -26,7 +26,8 @@ def get_sample(params):
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(sphere)
- interference = ba.InterferenceFunction2DLattice.createHexagonal(lattice_length)
+ interference = ba.InterferenceFunction2DLattice(
+ ba.HexagonalLattice(lattice_length))
pdf = ba.FTDecayFunction2DCauchy(10*nm, 10*nm, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/simulation/ex02_LayeredStructures/BuriedParticles.py b/Examples/python/simulation/ex02_LayeredStructures/BuriedParticles.py
index ed7959d2779a532ab02e8e8926799157e52cfc56..64a9e3c72b5d035020ee3f7985a579930cc16073 100644
--- a/Examples/python/simulation/ex02_LayeredStructures/BuriedParticles.py
+++ b/Examples/python/simulation/ex02_LayeredStructures/BuriedParticles.py
@@ -17,8 +17,8 @@ def get_sample():
m_particle = ba.HomogeneousMaterial("Particle", 0.0, 0.0)
# collection of particles
- ff_sphere = ba.FormFactorFullSphere(10.2*nm)
- sphere = ba.Particle(m_particle, ff_sphere)
+ ff = ba.FormFactorFullSphere(10.2*nm)
+ sphere = ba.Particle(m_particle, ff)
sphere.setPosition(0.0, 0.0, -25.2)
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(sphere, 1.0)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DCenteredSquareLattice.py b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DCenteredSquareLattice.py
index a5ac25677f000b57fafcacedca799a594baad653..ea4363117a2f6e6ea119785898b44c18c9f15482 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DCenteredSquareLattice.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DCenteredSquareLattice.py
@@ -17,7 +17,7 @@ def get_sample():
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
- interference = ba.InterferenceFunction2DLattice.createSquare(25.0*nm, 0)
+ interference = ba.InterferenceFunction2DLattice(ba.SquareLattice(25.0*nm, 0))
pdf = ba.FTDecayFunction2DCauchy(300.0*nm/2.0/numpy.pi,
100.0*nm/2.0/numpy.pi, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DLatticeSumOfRotated.py b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DLatticeSumOfRotated.py
index 2e987129e11c1d4140063d1e837be6dc75dd0921..125a213decaa034781ef6d72ddd3fd9d99eba2dd 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DLatticeSumOfRotated.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DLatticeSumOfRotated.py
@@ -17,15 +17,15 @@ def get_sample():
substrate_layer = ba.Layer(m_substrate)
p_interference_function = \
- ba.InterferenceFunction2DLattice.createSquare(25.0*nm, 0)
+ ba.InterferenceFunction2DLattice(ba.SquareLattice(25.0*nm, 0))
pdf = ba.FTDecayFunction2DCauchy(300.0*nm/2.0/numpy.pi,
100.0*nm/2.0/numpy.pi, 0)
p_interference_function.setDecayFunction(pdf)
particle_layout = ba.ParticleLayout()
- ff_cyl = ba.FormFactorCylinder(3.0*nm, 3.0*nm)
+ ff = ba.FormFactorCylinder(3.0*nm, 3.0*nm)
position = ba.kvector_t(0.0, 0.0, 0.0)
- cylinder = ba.Particle(m_particle, ff_cyl.clone())
+ cylinder = ba.Particle(m_particle, ff.clone())
cylinder.setPosition(position)
particle_layout.addParticle(cylinder, 1.0)
particle_layout.setInterferenceFunction(p_interference_function)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DParaCrystal.py b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DParaCrystal.py
index ad7b5e226ad0ee880a85dc94c686f5fd8bd78a35..af0500ab3f5e4df91699ee618719297af832d5e7 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DParaCrystal.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DParaCrystal.py
@@ -17,8 +17,9 @@ def get_sample():
cylinder_ff = ba.FormFactorCylinder(4*nm, 5*nm)
cylinder = ba.Particle(m_particle, cylinder_ff)
- interference = ba.InterferenceFunction2DParaCrystal.createSquare(
- 10.0*nm, 0.0, 20.0*micrometer, 20.0*micrometer)
+ interference = ba.InterferenceFunction2DParaCrystal(
+ ba.SquareLattice(10.0*nm), 0.0, 20.0*micrometer, 20.0*micrometer)
+ interference.setIntegrationOverXi(True)
pdf = ba.FTDistribution2DCauchy(1.0*nm, 1.0*nm, 0)
interference.setProbabilityDistributions(pdf, pdf)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DRotatedSquareLattice.py b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DRotatedSquareLattice.py
index daed2dea6785d0323c5613487e0cd3b5fabbc090..99993c2f2978a2c576526da58dc4098d0c0245e6 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DRotatedSquareLattice.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DRotatedSquareLattice.py
@@ -16,8 +16,8 @@ def get_sample():
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
- interference = ba.InterferenceFunction2DLattice.createSquare(
- 25.0*nm, 30.0*deg)
+ interference = ba.InterferenceFunction2DLattice(
+ ba.SquareLattice(25.0*nm, 30.0*deg))
pdf = ba.FTDecayFunction2DCauchy(300.0*nm/2.0/numpy.pi, 100.0*nm/2.0/numpy.pi, 0)
pdf.setParameterValue("Gamma", 30.0*deg)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareFiniteLattice.py b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareFiniteLattice.py
index ad783998dc36098c433f69b13ea73e0cd261d929..0319d13ca30d07f23ceb311c37baf3f28e6755da 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareFiniteLattice.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareFiniteLattice.py
@@ -16,8 +16,8 @@ def get_sample():
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
- interference = ba.InterferenceFunctionFinite2DLattice.createSquare(
- 25.0*nm, 0.0, 40, 40)
+ interference = ba.InterferenceFunctionFinite2DLattice(
+ ba.SquareLattice(25.0*nm, 0.0), 40, 40)
interference.setPositionVariance(1.0)
cylinder_ff = ba.FormFactorCylinder(3.*nm, 3.*nm)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareLattice.py b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareLattice.py
index de7eb3b86dd42c98c9a17d345c3af87555c14950..b44049343179d999936e7dadd45de028a15004bf 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareLattice.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/Interference2DSquareLattice.py
@@ -16,7 +16,7 @@ def get_sample():
m_particle = ba.HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
- interference = ba.InterferenceFunction2DLattice.createSquare(25.0*nm, 0*deg)
+ interference = ba.InterferenceFunction2DLattice(ba.SquareLattice(25.0*nm, 0*deg))
pdf = ba.FTDecayFunction2DCauchy(300.0*nm/2.0/numpy.pi,
100.0*nm/2.0/numpy.pi, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/simulation/ex03_InterferenceFunctions/SpheresAtHexLattice.py b/Examples/python/simulation/ex03_InterferenceFunctions/SpheresAtHexLattice.py
index 3acb9d9be9ab9e33878aeec6cddb1647db8ff724..5813247a2a430c59651a7b5e953703c97893c598 100644
--- a/Examples/python/simulation/ex03_InterferenceFunctions/SpheresAtHexLattice.py
+++ b/Examples/python/simulation/ex03_InterferenceFunctions/SpheresAtHexLattice.py
@@ -19,7 +19,8 @@ def get_sample():
particle_layout = ba.ParticleLayout()
particle_layout.addParticle(sphere)
- interference = ba.InterferenceFunction2DLattice.createHexagonal(20.0*nm, 0*deg)
+ interference = ba.InterferenceFunction2DLattice(
+ ba.HexagonalLattice(20.0*nm, 0*deg))
pdf = ba.FTDecayFunction2DCauchy(10*nm, 10*nm, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/simulation/ex04_ComplexShapes/HexagonalLatticesWithBasis.py b/Examples/python/simulation/ex04_ComplexShapes/HexagonalLatticesWithBasis.py
index 94a8a4b03e977352de6eece0d7b9cf08a96d3b0b..e798c1b411fa0243ceee8c3a7d84281eead55670 100644
--- a/Examples/python/simulation/ex04_ComplexShapes/HexagonalLatticesWithBasis.py
+++ b/Examples/python/simulation/ex04_ComplexShapes/HexagonalLatticesWithBasis.py
@@ -26,8 +26,8 @@ def get_sample():
basis.addParticles(sphere, [pos0, pos1])
particle_layout.addParticle(basis)
- interference = ba.InterferenceFunction2DLattice.createHexagonal(
- radius*2.0, 0*deg)
+ interference = ba.InterferenceFunction2DLattice(
+ ba.HexagonalLattice(radius*2.0, 0*deg))
pdf = ba.FTDecayFunction2DCauchy(10*nm, 10*nm, 0)
interference.setDecayFunction(pdf)
diff --git a/Examples/python/simulation/ex04_ComplexShapes/MesoCrystal.py b/Examples/python/simulation/ex04_ComplexShapes/MesoCrystal.py
index cb7550db810db48da2074c0a484d01fd03111dbc..857aa322b49142ee77059a220f40cc26790a6617 100644
--- a/Examples/python/simulation/ex04_ComplexShapes/MesoCrystal.py
+++ b/Examples/python/simulation/ex04_ComplexShapes/MesoCrystal.py
@@ -18,7 +18,7 @@ def get_sample():
lattice_basis_1 = ba.kvector_t(5.0, 0.0, 0.0)
lattice_basis_2 = ba.kvector_t(0.0, 5.0, 0.0)
lattice_basis_3 = ba.kvector_t(0.0, 0.0, 5.0)
- lattice = ba.Lattice(lattice_basis_1, lattice_basis_2, lattice_basis_3)
+ lattice = ba.Lattice3D(lattice_basis_1, lattice_basis_2, lattice_basis_3)
# spherical particle that forms the base of the mesocrystal
sphere_ff = ba.FormFactorFullSphere(2*nm)
diff --git a/Examples/python/simulation/ex06_Reflectometry/MaterialProfileWithParticles.py b/Examples/python/simulation/ex06_Reflectometry/MaterialProfileWithParticles.py
index cb941cb2474b69206cb2eec36003d70a8fd9029a..2fd471de8348f318110d6e6784a0220f57820a9d 100644
--- a/Examples/python/simulation/ex06_Reflectometry/MaterialProfileWithParticles.py
+++ b/Examples/python/simulation/ex06_Reflectometry/MaterialProfileWithParticles.py
@@ -35,7 +35,7 @@ def get_sample():
particle = ba.Particle(m_particle, ff)
layout = ba.ParticleLayout()
layout.addParticle(particle)
- iff = ba.InterferenceFunction2DLattice.createSquare(10 * nm, 0)
+ iff = ba.InterferenceFunction2DLattice(ba.SquareLattice(10 * nm, 0))
layout.setInterferenceFunction(iff)
ambient_layer.addLayout(layout)
ambient_layer.setNumberOfSlices(20)
diff --git a/Examples/python/simulation/ex07_Miscellaneous/AccessingSimulationResults.py b/Examples/python/simulation/ex07_Miscellaneous/AccessingSimulationResults.py
index b04ba49cdcd5bc769e3795aac0148e08641df87f..3f923e86ee0a35726522912458fbe5e36e9d9291 100644
--- a/Examples/python/simulation/ex07_Miscellaneous/AccessingSimulationResults.py
+++ b/Examples/python/simulation/ex07_Miscellaneous/AccessingSimulationResults.py
@@ -125,8 +125,8 @@ def plot(hist):
plt.title("Cropping")
plt.subplot(2, 2, 3)
- reldiff_hist = get_relative_difference(hist)
- plot_histogram(reldiff_hist, zmin=1e-03, zmax=10)
+ reldiff = get_relative_difference(hist)
+ plot_histogram(reldiff, zmin=1e-03, zmax=10)
plt.title("Relative difference")
plt.subplot(2, 2, 4)
diff --git a/Examples/python/simulation/ex07_Miscellaneous/BoxesWithSpecularPeak.py b/Examples/python/simulation/ex07_Miscellaneous/BoxesWithSpecularPeak.py
index 9f87fcc2ae2e303f8723bf4b10d8a42385c68f46..aa060d9272ed258b121c3a730a86a5444bfa1a67 100644
--- a/Examples/python/simulation/ex07_Miscellaneous/BoxesWithSpecularPeak.py
+++ b/Examples/python/simulation/ex07_Miscellaneous/BoxesWithSpecularPeak.py
@@ -21,7 +21,7 @@ def get_sample():
particle_layout.addParticle(box)
# interference function
- interference = ba.InterferenceFunction2DLattice.createSquare(8*nm, 0*deg)
+ interference = ba.InterferenceFunction2DLattice(ba.SquareLattice(8*nm, 0*deg))
pdf = ba.FTDecayFunction2DCauchy(100*nm, 100*nm, 0)
interference.setDecayFunction(pdf)
particle_layout.setInterferenceFunction(interference)
diff --git a/Examples/python/simulation/ex07_Miscellaneous/CylindersInAverageLayer.py b/Examples/python/simulation/ex07_Miscellaneous/CylindersInAverageLayer.py
index 917a65dd8667cb07079cf3e3f3e9adc1eb3cc4e9..96af9bfa2090d173f6058ab64ba8416234e6fc9d 100644
--- a/Examples/python/simulation/ex07_Miscellaneous/CylindersInAverageLayer.py
+++ b/Examples/python/simulation/ex07_Miscellaneous/CylindersInAverageLayer.py
@@ -23,7 +23,7 @@ def get_sample(cyl_height=5*nm):
particle_layout.addParticle(cylinder, 1.0, position)
# interference function
- interference = ba.InterferenceFunction2DLattice.createSquare(15*nm, 0*deg)
+ interference = ba.InterferenceFunction2DLattice(ba.SquareLattice(15*nm, 0*deg))
pdf = ba.FTDecayFunction2DCauchy(300*nm, 300*nm, 0)
interference.setDecayFunction(pdf)
particle_layout.setInterferenceFunction(interference)
diff --git a/Examples/python/simulation/ex07_Miscellaneous/HalfSpheresInAverageTopLayer.py b/Examples/python/simulation/ex07_Miscellaneous/HalfSpheresInAverageTopLayer.py
index b486ffdd191d87b87812ecf767526f4c4f4319d4..2ecf336360fd1dcef066a0d666dd9c4a2d04afd2 100644
--- a/Examples/python/simulation/ex07_Miscellaneous/HalfSpheresInAverageTopLayer.py
+++ b/Examples/python/simulation/ex07_Miscellaneous/HalfSpheresInAverageTopLayer.py
@@ -26,7 +26,7 @@ def get_sample():
particle_layout.addParticle(half_sphere)
# interference function
- interference = ba.InterferenceFunction2DLattice.createSquare(10*nm, 0*deg)
+ interference = ba.InterferenceFunction2DLattice(ba.SquareLattice(10*nm, 0*deg))
pdf = ba.FTDecayFunction2DCauchy(100*nm, 100*nm, 0)
interference.setDecayFunction(pdf)
particle_layout.setInterferenceFunction(interference)
diff --git a/GUI/coregui/Models/BeamAngleItems.cpp b/GUI/coregui/Models/BeamAngleItems.cpp
index 8363dc378928b967b371ef279ef9a4a96b4beb45..ea37c5a988db8cc11d2c42790e86cd698c3855fd 100644
--- a/GUI/coregui/Models/BeamAngleItems.cpp
+++ b/GUI/coregui/Models/BeamAngleItems.cpp
@@ -37,7 +37,7 @@ double BeamAzimuthalAngleItem::azimuthalAngle() const
double BeamAzimuthalAngleItem::scaleFactor() const
{
- return Units::degree;
+ return Units::deg;
}
// ------------------------------------------------------------------------------------------------
@@ -64,5 +64,5 @@ double BeamInclinationAngleItem::inclinationAngle() const
double BeamInclinationAngleItem::scaleFactor() const
{
- return Units::degree;
+ return Units::deg;
}
diff --git a/GUI/coregui/Models/DepthProbeInstrumentItem.cpp b/GUI/coregui/Models/DepthProbeInstrumentItem.cpp
index f496ea63a10d0fb48e13dd632cf6ba54effa1527..643af11980dd45f8c95ea865408ae83625c375ba 100644
--- a/GUI/coregui/Models/DepthProbeInstrumentItem.cpp
+++ b/GUI/coregui/Models/DepthProbeInstrumentItem.cpp
@@ -72,7 +72,7 @@ std::unique_ptr<DepthProbeSimulation> DepthProbeInstrumentItem::createSimulation
const auto axis_item = beamItem()->currentInclinationAxisItem();
- auto axis = axis_item->createAxis(Units::degree);
+ auto axis = axis_item->createAxis(Units::deg);
simulation->setBeamParameters(beamItem()->getWavelength(), static_cast<int>(axis->size()),
axis->lowerBound(), axis->upperBound());
diff --git a/GUI/coregui/Models/DomainObjectBuilder.cpp b/GUI/coregui/Models/DomainObjectBuilder.cpp
index f6c283fb7bf850a5ba68039baa7e7ae2d563f418..a5ea1b1ddd96ebab0e0403f8df116e98cd17128e 100644
--- a/GUI/coregui/Models/DomainObjectBuilder.cpp
+++ b/GUI/coregui/Models/DomainObjectBuilder.cpp
@@ -149,7 +149,7 @@ DomainObjectBuilder::createUnitConverter(const InstrumentItem* instrumentItem)
instrumentItem->getItem(OffSpecInstrumentItem::P_ALPHA_AXIS));
const auto detector2d = dynamic_cast<const IDetector2D*>(instrument->getDetector());
return std::make_unique<OffSpecularConverter>(*detector2d, instrument->beam(),
- *axis_item->createAxis(Units::degree));
+ *axis_item->createAxis(Units::deg));
}
throw GUIHelpers::Error(
diff --git a/GUI/coregui/Models/DomainSimulationBuilder.cpp b/GUI/coregui/Models/DomainSimulationBuilder.cpp
index 8cb0b55e80cafba8f25a241ad1a095d532018f7d..236b2ff9fc950445a5d6a89fc45916d1a06a7494 100644
--- a/GUI/coregui/Models/DomainSimulationBuilder.cpp
+++ b/GUI/coregui/Models/DomainSimulationBuilder.cpp
@@ -124,7 +124,7 @@ std::unique_ptr<OffSpecSimulation> createOffSpecSimulation(std::unique_ptr<Multi
auto beamItem = instrument->beamItem();
auto axisItem =
dynamic_cast<BasicAxisItem*>(instrument->getItem(OffSpecInstrumentItem::P_ALPHA_AXIS));
- ret->setBeamParameters(beamItem->getWavelength(), *axisItem->createAxis(Units::degree),
+ ret->setBeamParameters(beamItem->getWavelength(), *axisItem->createAxis(Units::deg),
beamItem->getAzimuthalAngle());
// TODO Take care about distributions
@@ -152,7 +152,7 @@ createSpecularSimulation(std::unique_ptr<MultiLayer> P_multilayer,
const auto axis_item = beam_item->currentInclinationAxisItem();
const auto footprint = beam_item->currentFootprintItem();
- AngularSpecScan scan(beam_item->getWavelength(), *axis_item->createAxis(Units::degree));
+ AngularSpecScan scan(beam_item->getWavelength(), *axis_item->createAxis(Units::deg));
scan.setFootprintFactor(footprint->createFootprint().get());
TransformToDomain::addBeamDivergencesToScan(*beam_item, scan);
diff --git a/GUI/coregui/Models/FormFactorItems.cpp b/GUI/coregui/Models/FormFactorItems.cpp
index 946d00a210b8e1b812861b11c8d8be9433f669cb..e3ddafe56dc21b69dd2474113020482286e294ee 100644
--- a/GUI/coregui/Models/FormFactorItems.cpp
+++ b/GUI/coregui/Models/FormFactorItems.cpp
@@ -37,7 +37,7 @@ std::unique_ptr<IFormFactor> AnisoPyramidItem::createFormFactor() const
{
return std::make_unique<FormFactorAnisoPyramid>(
getItemValue(P_LENGTH).toDouble(), getItemValue(P_WIDTH).toDouble(),
- getItemValue(P_HEIGHT).toDouble(), getItemValue(P_ALPHA).toDouble() * Units::degree);
+ getItemValue(P_HEIGHT).toDouble(), getItemValue(P_ALPHA).toDouble() * Units::deg);
}
/* ------------------------------------------------ */
@@ -122,7 +122,7 @@ std::unique_ptr<IFormFactor> ConeItem::createFormFactor() const
{
return std::make_unique<FormFactorCone>(getItemValue(P_RADIUS).toDouble(),
getItemValue(P_HEIGHT).toDouble(),
- getItemValue(P_ALPHA).toDouble() * Units::degree);
+ getItemValue(P_ALPHA).toDouble() * Units::deg);
}
/* ------------------------------------------------ */
@@ -143,7 +143,7 @@ std::unique_ptr<IFormFactor> Cone6Item::createFormFactor() const
{
return std::make_unique<FormFactorCone6>(getItemValue(P_BASEEDGE).toDouble(),
getItemValue(P_HEIGHT).toDouble(),
- getItemValue(P_ALPHA).toDouble() * Units::degree);
+ getItemValue(P_ALPHA).toDouble() * Units::deg);
}
/* ------------------------------------------------ */
@@ -169,7 +169,7 @@ std::unique_ptr<IFormFactor> CuboctahedronItem::createFormFactor() const
{
return std::make_unique<FormFactorCuboctahedron>(
getItemValue(P_LENGTH).toDouble(), getItemValue(P_HEIGHT).toDouble(),
- getItemValue(P_HEIGHT_RATIO).toDouble(), getItemValue(P_ALPHA).toDouble() * Units::degree);
+ getItemValue(P_HEIGHT_RATIO).toDouble(), getItemValue(P_ALPHA).toDouble() * Units::deg);
}
/* ------------------------------------------------ */
@@ -369,7 +369,7 @@ std::unique_ptr<IFormFactor> PyramidItem::createFormFactor() const
{
return std::make_unique<FormFactorPyramid>(getItemValue(P_BASEEDGE).toDouble(),
getItemValue(P_HEIGHT).toDouble(),
- getItemValue(P_ALPHA).toDouble() * Units::degree);
+ getItemValue(P_ALPHA).toDouble() * Units::deg);
}
/* ------------------------------------------------ */
@@ -524,9 +524,9 @@ TetrahedronItem::TetrahedronItem() : FormFactorItem("Tetrahedron")
std::unique_ptr<IFormFactor> TetrahedronItem::createFormFactor() const
{
- return std::make_unique<FormFactorTetrahedron>(
- getItemValue(P_BASEEDGE).toDouble(), getItemValue(P_HEIGHT).toDouble(),
- getItemValue(P_ALPHA).toDouble() * Units::degree);
+ return std::make_unique<FormFactorTetrahedron>(getItemValue(P_BASEEDGE).toDouble(),
+ getItemValue(P_HEIGHT).toDouble(),
+ getItemValue(P_ALPHA).toDouble() * Units::deg);
}
/* ------------------------------------------------ */
diff --git a/GUI/coregui/Models/InterferenceFunctionItems.cpp b/GUI/coregui/Models/InterferenceFunctionItems.cpp
index 987c37d34b4d8572ba184998a81c89d422b2ef36..c98855a803e5b4b99bf77eb751813a689b357d47 100644
--- a/GUI/coregui/Models/InterferenceFunctionItems.cpp
+++ b/GUI/coregui/Models/InterferenceFunctionItems.cpp
@@ -57,7 +57,7 @@ InterferenceFunction1DLatticeItem::InterferenceFunction1DLatticeItem()
: InterferenceFunctionItem("Interference1DLattice")
{
setToolTip("Interference function of a 1D lattice");
- addProperty(P_LENGTH, 20.0 * Units::nanometer)->setToolTip("Lattice length in nanometers");
+ addProperty(P_LENGTH, 20.0 * Units::nm)->setToolTip("Lattice length in nanometers");
addProperty(P_ROTATION_ANGLE, 0.0)
->setToolTip("Rotation of lattice with respect to x-axis of reference \n"
"frame (beam direction) in degrees ");
@@ -306,7 +306,7 @@ InterferenceFunctionHardDiskItem::InterferenceFunctionHardDiskItem()
: InterferenceFunctionItem("InterferenceHardDisk")
{
setToolTip("Interference function for hard disk Percus-Yevick");
- addProperty(P_RADIUS, 5.0 * Units::nanometer)->setToolTip("Hard disk radius in nanometers");
+ addProperty(P_RADIUS, 5.0 * Units::nm)->setToolTip("Hard disk radius in nanometers");
addProperty(P_DENSITY, 0.002)->setToolTip("Particle density in particles per square nanometer");
}
@@ -335,9 +335,9 @@ InterferenceFunctionRadialParaCrystalItem::InterferenceFunctionRadialParaCrystal
: InterferenceFunctionItem("InterferenceRadialParaCrystal")
{
setToolTip("Interference function of a radial paracrystal");
- addProperty(P_PEAK_DISTANCE, 20.0 * Units::nanometer)
+ addProperty(P_PEAK_DISTANCE, 20.0 * Units::nm)
->setToolTip("Average distance to the next neighbor in nanometers");
- addProperty(P_DAMPING_LENGTH, 1000.0 * Units::nanometer)
+ addProperty(P_DAMPING_LENGTH, 1000.0 * Units::nm)
->setToolTip("The damping (coherence) length of the paracrystal "
"in nanometers");
addProperty(P_DOMAIN_SIZE, 0.0)
diff --git a/GUI/coregui/Models/MesoCrystalItem.cpp b/GUI/coregui/Models/MesoCrystalItem.cpp
index 86ed0425acb4a205446e1624bc4cb97ed2b7c9a0..c2e9eada6484a00623e4bfb0cbb3b9a16885a877 100644
--- a/GUI/coregui/Models/MesoCrystalItem.cpp
+++ b/GUI/coregui/Models/MesoCrystalItem.cpp
@@ -48,7 +48,11 @@ const QString density_tooltip =
"Number of mesocrystals per square nanometer (particle surface density).\n "
"Should be defined for disordered and 1d-ordered particle collections.";
-bool IsIParticleName(QString name);
+bool IsIParticleName(QString name)
+{
+ return (name.startsWith("Particle") || name.startsWith("ParticleComposition")
+ || name.startsWith("ParticleCoreShell") || name.startsWith("MesoCrystal"));
+}
} // namespace
@@ -105,47 +109,43 @@ MesoCrystalItem::MesoCrystalItem() : SessionGraphicsItem("MesoCrystal")
std::unique_ptr<MesoCrystal> MesoCrystalItem::createMesoCrystal() const
{
- auto lattice = getLattice();
- if (!(lattice.volume() > 0.0)) {
+ const Lattice3D& lattice = getLattice();
+ if (!(lattice.unitCellVolume() > 0.0))
throw GUIHelpers::Error("MesoCrystalItem::createMesoCrystal(): "
"Lattice volume not strictly positive");
- }
- auto P_basis = getBasis();
- if (!P_basis) {
+ std::unique_ptr<IParticle> basis = getBasis();
+ if (!basis)
throw GUIHelpers::Error("MesoCrystalItem::createMesoCrystal(): "
"No basis particle defined");
- }
- Crystal crystal(*P_basis, lattice);
+ Crystal crystal(*basis, lattice);
- auto P_ff = getOuterShape();
- if (!P_ff) {
+ std::unique_ptr<IFormFactor> ff = getOuterShape();
+ if (!ff)
throw GUIHelpers::Error("MesoCrystalItem::createMesoCrystal(): "
"No outer shape defined");
- }
- auto P_result = std::make_unique<MesoCrystal>(crystal, *P_ff);
- TransformToDomain::setTransformationInfo(P_result.get(), *this);
+ auto result = std::make_unique<MesoCrystal>(crystal, *ff);
+ TransformToDomain::setTransformationInfo(result.get(), *this);
- return P_result;
+ return result;
}
QStringList MesoCrystalItem::translateList(const QStringList& list) const
{
QStringList result = list;
// Add CrystalType to path name of basis particle
- if (IsIParticleName(list.back())) {
+ if (IsIParticleName(list.back()))
result << QString::fromStdString("Crystal");
- }
result = SessionItem::translateList(result);
return result;
}
-Lattice MesoCrystalItem::getLattice() const
+Lattice3D MesoCrystalItem::getLattice() const
{
- kvector_t a1 = GetVectorItem(*this, P_VECTOR_A);
- kvector_t a2 = GetVectorItem(*this, P_VECTOR_B);
- kvector_t a3 = GetVectorItem(*this, P_VECTOR_C);
- return Lattice(a1, a2, a3);
+ const kvector_t a1 = GetVectorItem(*this, P_VECTOR_A);
+ const kvector_t a2 = GetVectorItem(*this, P_VECTOR_B);
+ const kvector_t a3 = GetVectorItem(*this, P_VECTOR_C);
+ return Lattice3D(a1, a2, a3);
}
std::unique_ptr<IParticle> MesoCrystalItem::getBasis() const
@@ -174,12 +174,3 @@ std::unique_ptr<IFormFactor> MesoCrystalItem::getOuterShape() const
auto& ff_item = groupItem<FormFactorItem>(MesoCrystalItem::P_OUTER_SHAPE);
return ff_item.createFormFactor();
}
-
-namespace
-{
-bool IsIParticleName(QString name)
-{
- return (name.startsWith("Particle") || name.startsWith("ParticleComposition")
- || name.startsWith("ParticleCoreShell") || name.startsWith("MesoCrystal"));
-}
-} // namespace
diff --git a/GUI/coregui/Models/MesoCrystalItem.h b/GUI/coregui/Models/MesoCrystalItem.h
index 615e811b000f0a8268f3b74cb3ebd28e25ed9ba4..edfd9e2799a9eea00c57b2e437836e894568dfb8 100644
--- a/GUI/coregui/Models/MesoCrystalItem.h
+++ b/GUI/coregui/Models/MesoCrystalItem.h
@@ -16,7 +16,7 @@
#define BORNAGAIN_GUI_COREGUI_MODELS_MESOCRYSTALITEM_H
#include "GUI/coregui/Models/SessionGraphicsItem.h"
-#include "Sample/Lattice/Lattice.h"
+#include "Sample/Lattice/Lattice3D.h"
class IFormFactor;
class IParticle;
@@ -37,7 +37,7 @@ public:
QStringList translateList(const QStringList& list) const override;
- Lattice getLattice() const;
+ Lattice3D getLattice() const;
std::unique_ptr<IParticle> getBasis() const;
std::unique_ptr<IFormFactor> getOuterShape() const;
};
diff --git a/GUI/coregui/Models/ParticleDistributionItem.cpp b/GUI/coregui/Models/ParticleDistributionItem.cpp
index f6ba211decec3fb972bb28f2f1ff3339c1b158ad..d1a477122a9da3d197dc99cc35809fa3f1e1702c 100644
--- a/GUI/coregui/Models/ParticleDistributionItem.cpp
+++ b/GUI/coregui/Models/ParticleDistributionItem.cpp
@@ -90,7 +90,7 @@ std::unique_ptr<ParticleDistribution> ParticleDistributionItem::createParticleDi
std::string domain_par = domainMainParameter();
- double scale = ParameterUtils::isAngleRelated(domain_par) ? Units::degree : 1.0;
+ double scale = ParameterUtils::isAngleRelated(domain_par) ? Units::deg : 1.0;
auto P_distribution = distr_item.createDistribution(scale);
RealLimits limits = RealLimits::limitless();
diff --git a/GUI/coregui/Models/SpecularBeamInclinationItem.cpp b/GUI/coregui/Models/SpecularBeamInclinationItem.cpp
index a1ad3dacf70845a6cbff55288b45bd42a942c600..a10df3f19074f720b6138d180e532ef02804e791 100644
--- a/GUI/coregui/Models/SpecularBeamInclinationItem.cpp
+++ b/GUI/coregui/Models/SpecularBeamInclinationItem.cpp
@@ -39,7 +39,7 @@ SpecularBeamInclinationItem::~SpecularBeamInclinationItem() = default;
double SpecularBeamInclinationItem::scaleFactor() const
{
- return Units::degree;
+ return Units::deg;
}
void SpecularBeamInclinationItem::updateFileName(const QString& filename)
diff --git a/GUI/coregui/Models/SphericalDetectorItem.cpp b/GUI/coregui/Models/SphericalDetectorItem.cpp
index 3cae51adedaa9b096c0b2006df7ead5285bda12d..3b2b71c352749ccc95fe8f1375f59450ef955daa 100644
--- a/GUI/coregui/Models/SphericalDetectorItem.cpp
+++ b/GUI/coregui/Models/SphericalDetectorItem.cpp
@@ -88,5 +88,5 @@ void SphericalDetectorItem::setYSize(int ny)
double SphericalDetectorItem::axesToDomainUnitsFactor() const
{
- return Units::degree;
+ return Units::deg;
}
diff --git a/GUI/coregui/Models/TransformFromDomain.cpp b/GUI/coregui/Models/TransformFromDomain.cpp
index 91d4ffb934dada9b680dc503ba9115fbbdc3f1e4..d75c35f6c09b0bb0b522f7757d8787abbc663ec9 100644
--- a/GUI/coregui/Models/TransformFromDomain.cpp
+++ b/GUI/coregui/Models/TransformFromDomain.cpp
@@ -220,7 +220,7 @@ void TransformFromDomain::setParticleDistributionItem(SessionItem* item,
double unit_factor(1.0);
if (sample.mainUnits() == "rad")
- unit_factor = 1. / Units::degree;
+ unit_factor = 1. / Units::deg;
QString group_name = ParticleDistributionItem::P_DISTRIBUTION;
setDistribution(distItem, par_distr, group_name, unit_factor);
@@ -355,7 +355,7 @@ void TransformFromDomain::setDetectorResolution(DetectorItem* detector_item,
"ResolutionFunction2DGaussian");
double scale(1.0);
if (detector_item->modelType() == "SphericalDetector")
- scale = 1. / Units::degree;
+ scale = 1. / Units::deg;
item->setItemValue(ResolutionFunction2DGaussianItem::P_SIGMA_X,
scale * resfunc->getSigmaX());
item->setItemValue(ResolutionFunction2DGaussianItem::P_SIGMA_Y,
@@ -481,7 +481,7 @@ void TransformFromDomain::setDetectorMasks(DetectorItem* detector_item,
double scale(1.0);
if (detector_item->modelType() == "SphericalDetector")
- scale = 1. / Units::degree;
+ scale = 1. / Units::deg;
setMaskContainer(detector_item->maskContainerItem(), *detector, scale);
}
diff --git a/Param/Node/INodeVisitor.h b/Param/Node/INodeVisitor.h
index ea14ac42d3788c08a3555da5befbf19f6b04952e..e513d4cc5ec3724c4ce69a2d5f08d315b04726da 100644
--- a/Param/Node/INodeVisitor.h
+++ b/Param/Node/INodeVisitor.h
@@ -98,7 +98,7 @@ class IFormFactor;
class IFormFactorBorn;
class IFormFactorDecorator;
class IInterferenceFunction;
-class ILayout;
+class ParticleLayout;
class INode;
class Instrument;
class InterferenceFunction1DLattice;
@@ -127,7 +127,6 @@ class Particle;
class ParticleComposition;
class ParticleCoreShell;
class ParticleDistribution;
-class ParticleLayout;
class PoissonNoiseBackground;
class RectangularDetector;
class ResolutionFunction2DGaussian;
@@ -234,7 +233,7 @@ public:
virtual void visit(const IFormFactorBorn*) {}
virtual void visit(const IFormFactorDecorator*) {}
virtual void visit(const IInterferenceFunction*) {}
- virtual void visit(const ILayout*) {}
+ virtual void visit(const ParticleLayout*) {}
virtual void visit(const INode*) {}
virtual void visit(const Instrument*) {}
virtual void visit(const InterferenceFunction1DLattice*) {}
@@ -263,7 +262,6 @@ public:
virtual void visit(const ParticleComposition*) {}
virtual void visit(const ParticleCoreShell*) {}
virtual void visit(const ParticleDistribution*) {}
- virtual void visit(const ParticleLayout*) {}
virtual void visit(const PoissonNoiseBackground*) {}
virtual void visit(const RectangularDetector*) {}
virtual void visit(const ResolutionFunction2DGaussian*) {}
diff --git a/Sample/Aggregate/InterferenceFunction2DLattice.cpp b/Sample/Aggregate/InterferenceFunction2DLattice.cpp
index b103698ae81f09a1c11e01b5dbe928caf49fff6d..afcb51ec7efd9ff71960ec18eddb107b81fea335 100644
--- a/Sample/Aggregate/InterferenceFunction2DLattice.cpp
+++ b/Sample/Aggregate/InterferenceFunction2DLattice.cpp
@@ -30,7 +30,9 @@ InterferenceFunction2DLattice::InterferenceFunction2DLattice(const Lattice2D& la
: IInterferenceFunction(0), m_integrate_xi(false)
{
setName("Interference2DLattice");
- setLattice(lattice);
+ m_lattice.reset(lattice.clone());
+ registerChild(m_lattice.get());
+ initialize_rec_vectors();
}
//! Constructor of two-dimensional interference function.
@@ -56,24 +58,6 @@ InterferenceFunction2DLattice* InterferenceFunction2DLattice::clone() const
return ret;
}
-//! Creates square lattice.
-//! @param lattice_length: length of the first and second basis vectors in nanometers
-//! @param xi: rotation of the lattice with respect to the x-axis in radians
-InterferenceFunction2DLattice* InterferenceFunction2DLattice::createSquare(double lattice_length,
- double xi)
-{
- return new InterferenceFunction2DLattice(SquareLattice(lattice_length, xi));
-}
-
-//! Creates hexagonal lattice.
-//! @param lattice_length: length of the first and second basis vectors in nanometers
-//! @param xi: rotation of the lattice with respect to the x-axis in radians
-InterferenceFunction2DLattice* InterferenceFunction2DLattice::createHexagonal(double lattice_length,
- double xi)
-{
- return new InterferenceFunction2DLattice(HexagonalLattice(lattice_length, xi));
-}
-
//! Sets two-dimensional decay function.
//! @param decay: two-dimensional decay function in reciprocal space
void InterferenceFunction2DLattice::setDecayFunction(const IFTDecayFunction2D& decay)
@@ -128,13 +112,6 @@ double InterferenceFunction2DLattice::iff_without_dw(const kvector_t q) const
/ M_TWOPI;
}
-void InterferenceFunction2DLattice::setLattice(const Lattice2D& lattice)
-{
- m_lattice.reset(lattice.clone());
- registerChild(m_lattice.get());
- initialize_rec_vectors();
-}
-
double InterferenceFunction2DLattice::interferenceForXi(double xi) const
{
double result = 0.0;
diff --git a/Sample/Aggregate/InterferenceFunction2DLattice.h b/Sample/Aggregate/InterferenceFunction2DLattice.h
index 173d061d261d00995f7bbdbcd7eaa0beaf357c08..de7c89eab928158bd4bf45efc83c78347dd4f3f4 100644
--- a/Sample/Aggregate/InterferenceFunction2DLattice.h
+++ b/Sample/Aggregate/InterferenceFunction2DLattice.h
@@ -34,9 +34,6 @@ public:
void accept(INodeVisitor* visitor) const override final { visitor->visit(this); }
- static InterferenceFunction2DLattice* createSquare(double lattice_length, double xi);
- static InterferenceFunction2DLattice* createHexagonal(double lattice_length, double xi);
-
void setDecayFunction(const IFTDecayFunction2D& decay);
void setIntegrationOverXi(bool integrate_xi);
@@ -53,7 +50,6 @@ public:
private:
double iff_without_dw(const kvector_t q) const override final;
- void setLattice(const Lattice2D& lattice);
double interferenceForXi(double xi) const;
diff --git a/Sample/Aggregate/InterferenceFunction2DParaCrystal.cpp b/Sample/Aggregate/InterferenceFunction2DParaCrystal.cpp
index 5546d50fdc840b95f1f757a617c4842113111625..4f3e8b6148351100fbeeeb53aa7f350559018b31 100644
--- a/Sample/Aggregate/InterferenceFunction2DParaCrystal.cpp
+++ b/Sample/Aggregate/InterferenceFunction2DParaCrystal.cpp
@@ -26,7 +26,8 @@ InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(const Latti
: IInterferenceFunction(0), m_integrate_xi(false), m_damping_length(damping_length)
{
setName("Interference2DParaCrystal");
- setLattice(lattice);
+ m_lattice.reset(lattice.clone());
+ registerChild(m_lattice.get());
setDomainSizes(domain_size_1, domain_size_2);
registerParameter("DampingLength", &m_damping_length).setUnit("nm").setNonnegative();
registerParameter("DomainSize1", &m_domain_sizes[0]).setUnit("nm").setNonnegative();
@@ -105,44 +106,6 @@ double InterferenceFunction2DParaCrystal::iff_without_dw(const kvector_t q) cons
/ M_TWOPI;
}
-void InterferenceFunction2DParaCrystal::setLattice(const Lattice2D& lattice)
-{
- m_lattice.reset(lattice.clone());
- registerChild(m_lattice.get());
-}
-
-//! Creates square lattice.
-//! @param lattice_length: length of first and second lattice vectors in nanometers
-//! @param damping_length: the damping (coherence) length of the paracrystal in nanometers
-//! @param domain_size_1: size of the coherent domain along the first basis vector in nanometers
-//! @param domain_size_2: size of the coherent domain along the second basis vector in nanometers
-
-InterferenceFunction2DParaCrystal*
-InterferenceFunction2DParaCrystal::createSquare(double lattice_length, double damping_length,
- double domain_size_1, double domain_size_2)
-{
- auto result = new InterferenceFunction2DParaCrystal(
- SquareLattice(lattice_length), damping_length, domain_size_1, domain_size_2);
- result->setIntegrationOverXi(true);
- return result;
-}
-
-//! Creates hexagonal lattice.
-//! @param lattice_length: length of first and second lattice vectors in nanometers
-//! @param damping_length: the damping (coherence) length of the paracrystal in nanometers
-//! @param domain_size_1: size of the coherent domain along the first basis vector in nanometers
-//! @param domain_size_2: size of the coherent domain along the second basis vector in nanometers
-
-InterferenceFunction2DParaCrystal*
-InterferenceFunction2DParaCrystal::createHexagonal(double lattice_length, double damping_length,
- double domain_size_1, double domain_size_2)
-{
- auto result = new InterferenceFunction2DParaCrystal(
- HexagonalLattice(lattice_length, 0.), damping_length, domain_size_1, domain_size_2);
- result->setIntegrationOverXi(true);
- return result;
-}
-
//! Sets the sizes of coherence domains.
//! @param size_1: coherence domain size along the first basis vector in nanometers
//! @param size_2: coherence domain size along the second basis vector in nanometers
diff --git a/Sample/Aggregate/InterferenceFunction2DParaCrystal.h b/Sample/Aggregate/InterferenceFunction2DParaCrystal.h
index b333d35cec2339b9435545f96b2a3aed1815ec86..7f61d639436540ac0c006b3b7970387323d02c34 100644
--- a/Sample/Aggregate/InterferenceFunction2DParaCrystal.h
+++ b/Sample/Aggregate/InterferenceFunction2DParaCrystal.h
@@ -41,15 +41,6 @@ public:
void accept(INodeVisitor* visitor) const override final { visitor->visit(this); }
- static InterferenceFunction2DParaCrystal* createSquare(double lattice_length,
- double damping_length,
- double domain_size_1,
- double domain_size_2);
- static InterferenceFunction2DParaCrystal* createHexagonal(double lattice_length,
- double damping_length,
- double domain_size_1,
- double domain_size_2);
-
void setDomainSizes(double size_1, double size_2);
void setProbabilityDistributions(const IFTDistribution2D& pdf_1,
@@ -75,7 +66,6 @@ public:
private:
double iff_without_dw(const kvector_t q) const override final;
- void setLattice(const Lattice2D& lattice);
double interferenceForXi(double xi) const;
double interference1D(double qx, double qy, double xi, size_t index) const;
diff --git a/Sample/Aggregate/InterferenceFunction2DSuperLattice.cpp b/Sample/Aggregate/InterferenceFunction2DSuperLattice.cpp
index 8d7b58ecd57f84e042b800e75939dd9c05db1bc5..e58c11ba3c431b2dfae2f0177af333e28ab79d52 100644
--- a/Sample/Aggregate/InterferenceFunction2DSuperLattice.cpp
+++ b/Sample/Aggregate/InterferenceFunction2DSuperLattice.cpp
@@ -32,7 +32,8 @@ InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice(const Lat
, m_size_2(size_2)
{
setName("Interference2DSuperLattice");
- setLattice(lattice);
+ m_lattice.reset(lattice.clone());
+ registerChild(m_lattice.get());
setSubstructureIFF(InterferenceFunctionNone());
}
@@ -72,28 +73,6 @@ const IInterferenceFunction& InterferenceFunction2DSuperLattice::substructureIFF
return *m_substructure;
}
-//! Creates square lattice.
-// @param lattice_length: length of first and second lattice vectors in nanometers
-// @param xi: rotation of lattice with respect to x-axis in radians
-InterferenceFunction2DSuperLattice*
-InterferenceFunction2DSuperLattice::createSquare(double lattice_length, double xi, unsigned size_1,
- unsigned size_2)
-{
- return new InterferenceFunction2DSuperLattice(SquareLattice(lattice_length, xi), size_1,
- size_2);
-}
-
-//! Creates hexagonal lattice.
-// @param lattice_length: length of first and second lattice vectors in nanometers
-// @param xi: rotation of lattice with respect to x-axis in radians
-InterferenceFunction2DSuperLattice*
-InterferenceFunction2DSuperLattice::createHexagonal(double lattice_length, double xi,
- unsigned size_1, unsigned size_2)
-{
- return new InterferenceFunction2DSuperLattice(HexagonalLattice(lattice_length, xi), size_1,
- size_2);
-}
-
double InterferenceFunction2DSuperLattice::evaluate(const kvector_t q, double outer_iff) const
{
m_outer_iff = outer_iff;
@@ -139,12 +118,6 @@ double InterferenceFunction2DSuperLattice::iff_without_dw(const kvector_t q) con
return ampl * ampl / (m_size_1 * m_size_2);
}
-void InterferenceFunction2DSuperLattice::setLattice(const Lattice2D& lattice)
-{
- m_lattice.reset(lattice.clone());
- registerChild(m_lattice.get());
-}
-
double InterferenceFunction2DSuperLattice::interferenceForXi(double xi) const
{
m_xi = xi; // TODO ASAP don't set as collateratel effect; rm mutable
diff --git a/Sample/Aggregate/InterferenceFunction2DSuperLattice.h b/Sample/Aggregate/InterferenceFunction2DSuperLattice.h
index 9f6cff8f562b476c9aff757d3215a4190f6401cb..babd1e177df4201355765da9bc521cc0845842d1 100644
--- a/Sample/Aggregate/InterferenceFunction2DSuperLattice.h
+++ b/Sample/Aggregate/InterferenceFunction2DSuperLattice.h
@@ -37,11 +37,6 @@ public:
void setSubstructureIFF(const IInterferenceFunction& sub_iff);
const IInterferenceFunction& substructureIFF() const;
- static InterferenceFunction2DSuperLattice* createSquare(double lattice_length, double xi,
- unsigned size_1, unsigned size_2);
- static InterferenceFunction2DSuperLattice* createHexagonal(double lattice_length, double xi,
- unsigned size_1, unsigned size_2);
-
double evaluate(const kvector_t q, double outer_iff = 1.0) const override final;
unsigned domainSize1() const { return m_size_1; }
unsigned domainSize2() const { return m_size_2; }
@@ -55,7 +50,6 @@ public:
private:
double iff_without_dw(const kvector_t q) const override final;
- void setLattice(const Lattice2D& lattice);
double interferenceForXi(double xi) const;
diff --git a/Sample/Aggregate/InterferenceFunction3DLattice.cpp b/Sample/Aggregate/InterferenceFunction3DLattice.cpp
index 73188ec40c4b33dd124915de7cf730466a248890..e30ba9256660c822cc0968936e0b42e659d17769 100644
--- a/Sample/Aggregate/InterferenceFunction3DLattice.cpp
+++ b/Sample/Aggregate/InterferenceFunction3DLattice.cpp
@@ -17,7 +17,7 @@
#include "Sample/Correlations/IPeakShape.h"
#include <algorithm>
-InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice& lattice)
+InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice3D& lattice)
: IInterferenceFunction(0), m_lattice(lattice), m_peak_shape(nullptr), m_rec_radius(0.0)
{
setName("Interference3DLattice");
@@ -40,7 +40,7 @@ void InterferenceFunction3DLattice::setPeakShape(const IPeakShape& peak_shape)
m_peak_shape.reset(peak_shape.clone());
}
-const Lattice& InterferenceFunction3DLattice::lattice() const
+const Lattice3D& InterferenceFunction3DLattice::lattice() const
{
return m_lattice;
}
diff --git a/Sample/Aggregate/InterferenceFunction3DLattice.h b/Sample/Aggregate/InterferenceFunction3DLattice.h
index 848ed23399c590c18fc8cdf8da00c8b759449de4..b87a9a5224384c13a8c7ae714395b363181d2220 100644
--- a/Sample/Aggregate/InterferenceFunction3DLattice.h
+++ b/Sample/Aggregate/InterferenceFunction3DLattice.h
@@ -16,7 +16,7 @@
#define BORNAGAIN_SAMPLE_AGGREGATE_INTERFERENCEFUNCTION3DLATTICE_H
#include "Sample/Aggregate/IInterferenceFunction.h"
-#include "Sample/Lattice/Lattice.h"
+#include "Sample/Lattice/Lattice3D.h"
class IPeakShape;
@@ -26,7 +26,7 @@ class IPeakShape;
class InterferenceFunction3DLattice : public IInterferenceFunction
{
public:
- InterferenceFunction3DLattice(const Lattice& lattice);
+ InterferenceFunction3DLattice(const Lattice3D& lattice);
~InterferenceFunction3DLattice() final;
InterferenceFunction3DLattice* clone() const override final;
@@ -35,7 +35,7 @@ public:
void setPeakShape(const IPeakShape& peak_shape);
- const Lattice& lattice() const;
+ const Lattice3D& lattice() const;
bool supportsMultilayer() const override final { return false; }
@@ -47,7 +47,7 @@ private:
double iff_without_dw(const kvector_t q) const override final;
void initRecRadius();
- Lattice m_lattice; // TODO ASAP unique_ptr as in otehr InterferenceFunction%s
+ Lattice3D m_lattice; // TODO ASAP unique_ptr as in otehr InterferenceFunction%s
std::unique_ptr<IPeakShape> m_peak_shape;
double m_rec_radius; //!< radius in reciprocal space defining the nearest q vectors to use
};
diff --git a/Sample/Aggregate/InterferenceFunctionFinite2DLattice.cpp b/Sample/Aggregate/InterferenceFunctionFinite2DLattice.cpp
index ef2f13ab6be1094db9e7a6942d1a6949373e0a1b..f53a35ef17af12e3549b6f187bf285e6d11ec889 100644
--- a/Sample/Aggregate/InterferenceFunctionFinite2DLattice.cpp
+++ b/Sample/Aggregate/InterferenceFunctionFinite2DLattice.cpp
@@ -32,7 +32,8 @@ InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(const L
: IInterferenceFunction(0), m_integrate_xi(false), m_N_1(N_1), m_N_2(N_2)
{
setName("InterferenceFinite2DLattice");
- setLattice(lattice);
+ m_lattice.reset(lattice.clone());
+ registerChild(m_lattice.get());
}
//! Constructor of two-dimensional finite lattice interference function.
@@ -60,30 +61,6 @@ InterferenceFunctionFinite2DLattice* InterferenceFunctionFinite2DLattice::clone(
return ret;
}
-//! Creates square lattice.
-//! @param lattice_length: length of first and second lattice vectors in nanometers
-//! @param xi: rotation of lattice with respect to x-axis in radians
-//! @param N_1: number of lattice cells in the first lattice direction
-//! @param N_2: number of lattice cells in the second lattice direction
-InterferenceFunctionFinite2DLattice*
-InterferenceFunctionFinite2DLattice::createSquare(double lattice_length, double xi, unsigned N_1,
- unsigned N_2)
-{
- return new InterferenceFunctionFinite2DLattice(SquareLattice(lattice_length, xi), N_1, N_2);
-}
-
-//! Creates hexagonal lattice.
-//! @param lattice_length: length of first and second lattice vectors in nanometers
-//! @param xi: rotation of lattice with respect to x-axis in radians
-//! @param N_1: number of lattice cells in the first lattice direction
-//! @param N_2: number of lattice cells in the second lattice direction
-InterferenceFunctionFinite2DLattice*
-InterferenceFunctionFinite2DLattice::createHexagonal(double lattice_length, double xi, unsigned N_1,
- unsigned N_2)
-{
- return new InterferenceFunctionFinite2DLattice(HexagonalLattice(lattice_length, xi), N_1, N_2);
-}
-
void InterferenceFunctionFinite2DLattice::setIntegrationOverXi(bool integrate_xi)
{
m_integrate_xi = integrate_xi;
@@ -120,12 +97,6 @@ double InterferenceFunctionFinite2DLattice::iff_without_dw(const kvector_t q) co
/ M_TWOPI;
}
-void InterferenceFunctionFinite2DLattice::setLattice(const Lattice2D& lattice)
-{
- m_lattice.reset(lattice.clone());
- registerChild(m_lattice.get());
-}
-
double InterferenceFunctionFinite2DLattice::interferenceForXi(double xi) const
{
double a = m_lattice->length1();
diff --git a/Sample/Aggregate/InterferenceFunctionFinite2DLattice.h b/Sample/Aggregate/InterferenceFunctionFinite2DLattice.h
index 1cd85527e6bfb8a06bce9822739ff9ffd6545ae4..6f90b1fac3e1b11e5b0ad3a930d6bb051cf3bf59 100644
--- a/Sample/Aggregate/InterferenceFunctionFinite2DLattice.h
+++ b/Sample/Aggregate/InterferenceFunctionFinite2DLattice.h
@@ -33,11 +33,6 @@ public:
void accept(INodeVisitor* visitor) const override final { visitor->visit(this); }
- static InterferenceFunctionFinite2DLattice* createSquare(double lattice_length, double xi,
- unsigned N_1, unsigned N_2);
- static InterferenceFunctionFinite2DLattice* createHexagonal(double lattice_length, double xi,
- unsigned N_1, unsigned N_2);
-
unsigned numberUnitCells1() const { return m_N_1; }
unsigned numberUnitCells2() const { return m_N_2; }
@@ -53,7 +48,6 @@ public:
private:
double iff_without_dw(const kvector_t q) const override final;
- void setLattice(const Lattice2D& lattice);
double interferenceForXi(double xi) const;
diff --git a/Sample/Aggregate/InterferenceFunctionFinite3DLattice.cpp b/Sample/Aggregate/InterferenceFunctionFinite3DLattice.cpp
index 569eeecb300e353403403d73a5c3456c840a17c1..7bcc39315df9e2cfbd75aeeb30ab91105b795438 100644
--- a/Sample/Aggregate/InterferenceFunctionFinite3DLattice.cpp
+++ b/Sample/Aggregate/InterferenceFunctionFinite3DLattice.cpp
@@ -20,7 +20,7 @@
#include <limits>
-InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice& lattice,
+InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice3D& lattice,
unsigned N_1, unsigned N_2,
unsigned N_3)
: IInterferenceFunction(0), m_N_1(N_1), m_N_2(N_2), m_N_3(N_3)
@@ -38,7 +38,7 @@ InterferenceFunctionFinite3DLattice* InterferenceFunctionFinite3DLattice::clone(
return ret;
}
-const Lattice& InterferenceFunctionFinite3DLattice::lattice() const
+const Lattice3D& InterferenceFunctionFinite3DLattice::lattice() const
{
if (!m_lattice)
throw std::runtime_error("InterferenceFunctionFinite3DLattice::lattice() -> Error. "
@@ -61,8 +61,8 @@ double InterferenceFunctionFinite3DLattice::iff_without_dw(const kvector_t q) co
return ampl * ampl / (m_N_1 * m_N_2 * m_N_3);
}
-void InterferenceFunctionFinite3DLattice::setLattice(const Lattice& lattice)
+void InterferenceFunctionFinite3DLattice::setLattice(const Lattice3D& lattice)
{
- m_lattice = std::make_unique<Lattice>(lattice);
+ m_lattice = std::make_unique<Lattice3D>(lattice);
registerChild(m_lattice.get());
}
diff --git a/Sample/Aggregate/InterferenceFunctionFinite3DLattice.h b/Sample/Aggregate/InterferenceFunctionFinite3DLattice.h
index a393780d95f8732fce64e3453892c87e24227f1f..c89c1b4c3993c829da3e1c6532cdf9262361a336 100644
--- a/Sample/Aggregate/InterferenceFunctionFinite3DLattice.h
+++ b/Sample/Aggregate/InterferenceFunctionFinite3DLattice.h
@@ -16,7 +16,7 @@
#define BORNAGAIN_SAMPLE_AGGREGATE_INTERFERENCEFUNCTIONFINITE3DLATTICE_H
#include "Sample/Aggregate/IInterferenceFunction.h"
-#include "Sample/Lattice/Lattice.h"
+#include "Sample/Lattice/Lattice3D.h"
//! Interference function of a finite 3D lattice.
//! @ingroup interference
@@ -24,7 +24,7 @@
class InterferenceFunctionFinite3DLattice : public IInterferenceFunction
{
public:
- InterferenceFunctionFinite3DLattice(const Lattice& lattice, unsigned N_1, unsigned N_2,
+ InterferenceFunctionFinite3DLattice(const Lattice3D& lattice, unsigned N_1, unsigned N_2,
unsigned N_3);
~InterferenceFunctionFinite3DLattice() final;
@@ -36,7 +36,7 @@ public:
unsigned numberUnitCells2() const { return m_N_2; }
unsigned numberUnitCells3() const { return m_N_3; }
- const Lattice& lattice() const;
+ const Lattice3D& lattice() const;
bool supportsMultilayer() const override final { return false; }
@@ -44,9 +44,9 @@ public:
private:
double iff_without_dw(const kvector_t q) const override final;
- void setLattice(const Lattice& lattice);
+ void setLattice(const Lattice3D& lattice);
- std::unique_ptr<Lattice> m_lattice;
+ std::unique_ptr<Lattice3D> m_lattice;
unsigned m_N_1, m_N_2, m_N_3; //!< Size of the finite lattice in lattice units
};
diff --git a/Sample/Aggregate/ParticleLayout.cpp b/Sample/Aggregate/ParticleLayout.cpp
index 1ff12ba89a6473dc33f89844d46965d6bc083dc8..8881eddede6e3d28ba86d28d49027bbd57a69af5 100644
--- a/Sample/Aggregate/ParticleLayout.cpp
+++ b/Sample/Aggregate/ParticleLayout.cpp
@@ -34,7 +34,8 @@ bool particleDensityIsProvidedByInterference(const IInterferenceFunction& iff)
}
} // namespace
-ParticleLayout::ParticleLayout() : m_interference_function{nullptr}, m_total_particle_density{0.01}
+ParticleLayout::ParticleLayout()
+ : m_weight(1.0), m_total_particle_density(0.01), m_interference_function(nullptr)
{
setName("ParticleLayout");
registerParticleDensity();
@@ -42,7 +43,7 @@ ParticleLayout::ParticleLayout() : m_interference_function{nullptr}, m_total_par
}
ParticleLayout::ParticleLayout(const IAbstractParticle& particle, double abundance)
- : m_interference_function{nullptr}, m_total_particle_density{0.01}
+ : m_weight(1.0), m_total_particle_density(0.01), m_interference_function(nullptr)
{
setName("ParticleLayout");
addParticle(particle, abundance);
diff --git a/Sample/Aggregate/ParticleLayout.h b/Sample/Aggregate/ParticleLayout.h
index ddb434c3a2843351fd6c2cc865b5e9e39c88a2ce..3876818acc3cc30e71e0b650c777260d12ff2637 100644
--- a/Sample/Aggregate/ParticleLayout.h
+++ b/Sample/Aggregate/ParticleLayout.h
@@ -15,7 +15,8 @@
#ifndef BORNAGAIN_SAMPLE_AGGREGATE_PARTICLELAYOUT_H
#define BORNAGAIN_SAMPLE_AGGREGATE_PARTICLELAYOUT_H
-#include "Sample/Correlations/ILayout.h"
+#include "Base/Types/SafePointerVector.h"
+#include "Sample/Scattering/ISample.h"
#include "Sample/Scattering/Rotations.h"
#include <memory>
@@ -26,32 +27,38 @@ class IParticle;
//! Decorator class that adds particles to ISample objects.
//! @ingroup samples
-class ParticleLayout : public ILayout
+class ParticleLayout : public ISample
{
public:
ParticleLayout();
ParticleLayout(const IAbstractParticle& particle, double abundance = -1.0);
~ParticleLayout() override;
- ParticleLayout* clone() const final override;
+ ParticleLayout* clone() const override;
- void accept(INodeVisitor* visitor) const final override { visitor->visit(this); }
+ void accept(INodeVisitor* visitor) const override { visitor->visit(this); }
void addParticle(const IAbstractParticle& particle, double abundance = -1.0,
const kvector_t position = {}, const IRotation& rotation = IdentityRotation());
- SafePointerVector<IParticle> particles() const final override;
+ SafePointerVector<IParticle> particles() const;
- const IInterferenceFunction* interferenceFunction() const final override;
+ const IInterferenceFunction* interferenceFunction() const;
- double getTotalAbundance() const final override;
+ double getTotalAbundance() const;
void setInterferenceFunction(const IInterferenceFunction& interference_function);
- double totalParticleSurfaceDensity() const final override;
- void setTotalParticleSurfaceDensity(double particle_density) final override;
+ double totalParticleSurfaceDensity() const;
+ void setTotalParticleSurfaceDensity(double particle_density);
- std::vector<const INode*> getChildren() const final override;
+ std::vector<const INode*> getChildren() const override;
+
+ //! Returns the relative weight of this layout
+ double weight() const { return m_weight; }
+
+ //! Sets the relative weight of this layout
+ void setWeight(double weight) { m_weight = weight; }
private:
void addAndRegisterAbstractParticle(IAbstractParticle* child);
@@ -60,9 +67,10 @@ private:
void registerParticleDensity(bool make_registered = true);
void registerWeight();
+ double m_weight;
+ double m_total_particle_density;
SafePointerVector<IAbstractParticle> m_particles; //!< Vector of particle types
std::unique_ptr<IInterferenceFunction> m_interference_function;
- double m_total_particle_density;
};
#endif // BORNAGAIN_SAMPLE_AGGREGATE_PARTICLELAYOUT_H
diff --git a/Sample/Correlations/ILayout.cpp b/Sample/Correlations/ILayout.cpp
deleted file mode 100644
index 7c6009c964278d985c9149e95730ac17d09f97e0..0000000000000000000000000000000000000000
--- a/Sample/Correlations/ILayout.cpp
+++ /dev/null
@@ -1,19 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Correlations/ILayout.cpp
-//! @brief Implements interface class ILayout.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#include "Sample/Correlations/ILayout.h"
-
-ILayout::ILayout() : m_weight(1.0) {}
-
-ILayout::~ILayout() = default;
diff --git a/Sample/Correlations/ILayout.h b/Sample/Correlations/ILayout.h
deleted file mode 100644
index 8ec537dc5a5b7bbf82bc25783e572cefe35a4d42..0000000000000000000000000000000000000000
--- a/Sample/Correlations/ILayout.h
+++ /dev/null
@@ -1,66 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Correlations/ILayout.h
-//! @brief Defines and implements interface class ILayout.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#ifndef BORNAGAIN_SAMPLE_CORRELATIONS_ILAYOUT_H
-#define BORNAGAIN_SAMPLE_CORRELATIONS_ILAYOUT_H
-
-#include "Base/Types/SafePointerVector.h"
-#include "Sample/Scattering/ISample.h"
-
-class IAbstractParticle;
-class IInterferenceFunction;
-
-//! Pure virtual interface class to equip a sample layer with scattering properties.
-//! Currently only inherited by ParticleLayout; in the future also by domain structure.
-//!
-//! @ingroup samples_internal
-
-// NOTE: When domain structures are implemented, this interface would probably undergo
-// major changes, because a domain layout would not contain particles
-class ILayout : public ISample
-{
-public:
- ILayout();
- virtual ~ILayout();
-
- virtual ILayout* clone() const = 0;
- virtual void accept(INodeVisitor* visitor) const = 0;
-
- //! Returns information on all particles (type and abundance)
- //! and generates new particles if an IAbstractParticle denotes a collection
- virtual SafePointerVector<IParticle> particles() const = 0;
-
- //! Returns the interference function
- virtual const IInterferenceFunction* interferenceFunction() const = 0;
-
- /// Get total abundance of all particles
- virtual double getTotalAbundance() const = 0;
-
- //! Returns surface density of all particles
- virtual double totalParticleSurfaceDensity() const = 0;
-
- //! Sets surface density of all particles
- virtual void setTotalParticleSurfaceDensity(double particle_density) = 0;
-
- //! Returns the relative weight of this layout
- double weight() const { return m_weight; }
-
- //! Sets the relative weight of this layout
- void setWeight(double weight) { m_weight = weight; }
-
-protected:
- double m_weight;
-};
-
-#endif // BORNAGAIN_SAMPLE_CORRELATIONS_ILAYOUT_H
diff --git a/Sample/Lattice/BakeLattice.cpp b/Sample/Lattice/BakeLattice.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f9979f0da7cb6a2f0e3b4e72d012f65ad92662ee
--- /dev/null
+++ b/Sample/Lattice/BakeLattice.cpp
@@ -0,0 +1,65 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Sample/Lattice/BakeLattice.cpp
+//! @brief Implements class Lattice.
+//!
+//! @homepage http://www.bornagainproject.org
+//! @license GNU General Public License v3 or higher (see COPYING)
+//! @copyright Forschungszentrum Jülich GmbH 2018
+//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
+//
+// ************************************************************************** //
+
+#include "Sample/Lattice/BakeLattice.h"
+#include "Sample/Lattice/Lattice3D.h"
+
+Lattice3D bake::createCubicLattice(double a)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(0.0, a, 0.0);
+ kvector_t a3(0.0, 0.0, a);
+ return Lattice3D(a1, a2, a3);
+}
+
+Lattice3D bake::createFCCLattice(double a)
+{
+ double b = a / 2.0;
+ kvector_t a1(0.0, b, b);
+ kvector_t a2(b, 0.0, b);
+ kvector_t a3(b, b, 0.0);
+ return Lattice3D(a1, a2, a3);
+}
+
+Lattice3D bake::createHexagonalLattice(double a, double c)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(-a / 2.0, std::sqrt(3.0) * a / 2.0, 0.0);
+ kvector_t a3(0.0, 0.0, c);
+ return Lattice3D(a1, a2, a3);
+}
+
+Lattice3D bake::createHCPLattice(double a, double c)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(-a / 2.0, std::sqrt(3.0) * a / 2.0, 0);
+ kvector_t a3(a / 2.0, a / std::sqrt(3.0) / 2.0, c / 2.0);
+ return Lattice3D(a1, a2, a3);
+}
+
+Lattice3D bake::createTetragonalLattice(double a, double c)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(0.0, a, 0.0);
+ kvector_t a3(0.0, 0.0, c);
+ return Lattice3D(a1, a2, a3);
+}
+
+Lattice3D bake::createBCTLattice(double a, double c)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(0.0, a, 0.0);
+ kvector_t a3(a / 2.0, a / 2.0, c / 2.0);
+ return Lattice3D(a1, a2, a3);
+}
diff --git a/Sample/Lattice/BakeLattice.h b/Sample/Lattice/BakeLattice.h
new file mode 100644
index 0000000000000000000000000000000000000000..4f0373f36a61a2c881c3402888abd8bdbf08a3e6
--- /dev/null
+++ b/Sample/Lattice/BakeLattice.h
@@ -0,0 +1,44 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Sample/Lattice/BakeLattice.h
+//! @brief Defines class Lattice.
+//!
+//! @homepage http://www.bornagainproject.org
+//! @license GNU General Public License v3 or higher (see COPYING)
+//! @copyright Forschungszentrum Jülich GmbH 2018
+//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
+//
+// ************************************************************************** //
+
+#ifndef BORNAGAIN_SAMPLE_LATTICE_BAKELATTICE_H
+#define BORNAGAIN_SAMPLE_LATTICE_BAKELATTICE_H
+
+class Lattice3D;
+
+namespace bake
+{
+
+//! Returns a primitive cubic (cP) lattice with edge length a.
+Lattice3D createCubicLattice(double a);
+
+//! Returns a face-centered cubic (cF) lattice with edge length a.
+Lattice3D createFCCLattice(double a);
+
+//! Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c.
+Lattice3D createHexagonalLattice(double a, double c);
+
+//! TODO: Clarify how this is meant: HCP is not a Bravais lattice.
+Lattice3D createHCPLattice(double a, double c);
+
+//! Returns a primitive tetragonal (tP) lattice with square base edge a and height c.
+Lattice3D createTetragonalLattice(double a, double c);
+
+//! Returns a body-centered cubic (cI) lattice with edge length a.
+//! TODO: Clarify meaning of c
+Lattice3D createBCTLattice(double a, double c);
+
+} // namespace bake
+
+#endif // BORNAGAIN_SAMPLE_LATTICE_BAKELATTICE_H
diff --git a/Sample/Lattice/ILatticeOrientation.cpp b/Sample/Lattice/ILatticeOrientation.cpp
deleted file mode 100644
index 212d83c6eb839f9c61a8c968b8107f7358b85126..0000000000000000000000000000000000000000
--- a/Sample/Lattice/ILatticeOrientation.cpp
+++ /dev/null
@@ -1,130 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Lattice/ILatticeOrientation.cpp
-//! @brief Implements subclasses of ILatticeOrientation.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#include "Sample/Lattice/ILatticeOrientation.h"
-
-namespace
-{
-bool ValidMillerIndex(MillerIndex index);
-bool ParallelMillerIndices(MillerIndex index1, MillerIndex index2);
-double SignForCrossProduct(MillerIndexOrientation::QComponent q1,
- MillerIndexOrientation::QComponent q2);
-MillerIndexOrientation::QComponent ThirdQComponent(MillerIndexOrientation::QComponent q1,
- MillerIndexOrientation::QComponent q2);
-void FillVectorInRow(Eigen::Matrix3d& matrix, kvector_t vec,
- MillerIndexOrientation::QComponent row);
-} // unnamed namespace
-
-ILatticeOrientation::~ILatticeOrientation() = default;
-
-MillerIndex::MillerIndex(double h_, double k_, double l_) : h(h_), k(k_), l(l_) {}
-
-MillerIndexOrientation::MillerIndexOrientation(MillerIndexOrientation::QComponent q1,
- MillerIndex index1,
- MillerIndexOrientation::QComponent q2,
- MillerIndex index2)
- : m_prim_lattice(), m_q1(q1), m_q2(q2), m_ind1{index1}, m_ind2{index2}
-{
- if (!checkAlignment())
- throw std::runtime_error("MillerIndexOrientation constructor: "
- "invalid alignment parameters");
-}
-
-MillerIndexOrientation* MillerIndexOrientation::clone() const
-{
- auto* result = new MillerIndexOrientation(m_q1, m_ind1, m_q2, m_ind2);
- result->usePrimitiveLattice(m_prim_lattice);
- return result;
-}
-
-MillerIndexOrientation::~MillerIndexOrientation() = default;
-
-void MillerIndexOrientation::usePrimitiveLattice(const Lattice& lattice)
-{
- m_prim_lattice.resetBasis(lattice.getBasisVectorA(), lattice.getBasisVectorB(),
- lattice.getBasisVectorC());
-}
-
-Transform3D MillerIndexOrientation::transformation() const
-{
- auto dir_1 = m_prim_lattice.getMillerDirection(m_ind1.h, m_ind1.k, m_ind1.l);
- auto dir_2 = m_prim_lattice.getMillerDirection(m_ind2.h, m_ind2.k, m_ind2.l);
- auto dir_2_parallel = dir_2.project(dir_1);
- dir_2 = (dir_2 - dir_2_parallel).unit();
- auto dir_3 = SignForCrossProduct(m_q1, m_q2) * dir_1.cross(dir_2);
- auto q3 = ThirdQComponent(m_q1, m_q2);
- Eigen::Matrix3d rot_matrix;
- FillVectorInRow(rot_matrix, dir_1, m_q1);
- FillVectorInRow(rot_matrix, dir_2, m_q2);
- FillVectorInRow(rot_matrix, dir_3, q3);
- return Transform3D(rot_matrix);
-}
-
-bool MillerIndexOrientation::checkAlignment() const
-{
- if (m_q1 == m_q2)
- return false;
- if (!ValidMillerIndex(m_ind1) || !ValidMillerIndex(m_ind2))
- return false;
- if (ParallelMillerIndices(m_ind1, m_ind2))
- return false;
- return true;
-}
-
-namespace
-{
-bool ValidMillerIndex(MillerIndex index)
-{
- return (index.h != 0.0 || index.k != 0.0 || index.l != 0.0);
-}
-bool ParallelMillerIndices(MillerIndex index1, MillerIndex index2)
-{
- double ratio = 0.0;
- if (index2.h != 0.0) {
- ratio = index1.h / index2.h;
- } else if (index2.k != 0.0) {
- ratio = index1.k / index2.k;
- } else if (index2.l != 0.0) {
- ratio = index1.l / index2.l;
- }
- if (ratio == 0.0)
- return false;
- return (index1.h == ratio * index2.h && index1.k == ratio * index2.k
- && index1.l == ratio * index2.l);
-}
-double SignForCrossProduct(MillerIndexOrientation::QComponent q1,
- MillerIndexOrientation::QComponent q2)
-{
- if ((q1 == MillerIndexOrientation::QX && q2 == MillerIndexOrientation::QY)
- || (q1 == MillerIndexOrientation::QY && q2 == MillerIndexOrientation::QZ)
- || (q1 == MillerIndexOrientation::QZ && q2 == MillerIndexOrientation::QX))
- return 1.0;
- return -1.0;
-}
-MillerIndexOrientation::QComponent ThirdQComponent(MillerIndexOrientation::QComponent q1,
- MillerIndexOrientation::QComponent q2)
-{
- if (q1 != MillerIndexOrientation::QX && q2 != MillerIndexOrientation::QX)
- return MillerIndexOrientation::QX;
- if (q1 != MillerIndexOrientation::QY && q2 != MillerIndexOrientation::QY)
- return MillerIndexOrientation::QY;
- return MillerIndexOrientation::QZ;
-}
-void FillVectorInRow(Eigen::Matrix3d& mat, kvector_t vec, MillerIndexOrientation::QComponent row)
-{
- int i = row == MillerIndexOrientation::QX ? 0 : row == MillerIndexOrientation::QY ? 1 : 2;
- for (int j = 0; j < 3; ++j)
- mat(i, j) = vec[j];
-}
-} // unnamed namespace
diff --git a/Sample/Lattice/ILatticeOrientation.h b/Sample/Lattice/ILatticeOrientation.h
deleted file mode 100644
index 9b6c519627265a018bf809a760d2a14bc4d1a823..0000000000000000000000000000000000000000
--- a/Sample/Lattice/ILatticeOrientation.h
+++ /dev/null
@@ -1,69 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Lattice/ILatticeOrientation.h
-//! @brief Defines interface ILatticeOrientation and subclasses.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#ifndef BORNAGAIN_SAMPLE_LATTICE_ILATTICEORIENTATION_H
-#define BORNAGAIN_SAMPLE_LATTICE_ILATTICEORIENTATION_H
-
-#include "Base/Vector/Transform3D.h"
-#include "Sample/Lattice/Lattice.h"
-
-//! Pure virtual base of classes that specify a lattice orientation.
-//! Currently only inherited by MillerIndexOrientation.
-
-class ILatticeOrientation
-{
-public:
- virtual ~ILatticeOrientation();
-
- virtual ILatticeOrientation* clone() const = 0;
-
- virtual void usePrimitiveLattice(const Lattice& lattice) = 0;
-
- virtual Transform3D transformation() const = 0;
-};
-
-//! A direction in reciprocal space, specified by double-valued indices hkl.
-struct MillerIndex {
- MillerIndex(double h_, double k_, double l_);
- double h, k, l;
-};
-
-//! Specifies a rotation of a lattice through the Miller indices of two coordinate axes.
-
-class MillerIndexOrientation : public ILatticeOrientation
-{
-public:
- enum QComponent { QX, QY, QZ };
-
- //! This constructor is best explained by an example.
- //! Arguments QX, (1,1,0), QY, (0,2,1) mean:
- //! Rotate the lattice such that the axis [110] points into x direction,
- //! and the axis [021], projected into the yz plane, points into z direction.
- MillerIndexOrientation(QComponent q1, MillerIndex index1, QComponent q2, MillerIndex index2);
- ~MillerIndexOrientation() override;
-
- MillerIndexOrientation* clone() const override;
-
- void usePrimitiveLattice(const Lattice& lattice) override;
-
- Transform3D transformation() const override;
-
-private:
- bool checkAlignment() const;
- Lattice m_prim_lattice;
- QComponent m_q1, m_q2;
- MillerIndex m_ind1, m_ind2;
-};
-
-#endif // BORNAGAIN_SAMPLE_LATTICE_ILATTICEORIENTATION_H
diff --git a/Sample/Lattice/Lattice.cpp b/Sample/Lattice/Lattice.cpp
deleted file mode 100644
index 3192afb274ba08673803bfe0ade556f8bd235cd6..0000000000000000000000000000000000000000
--- a/Sample/Lattice/Lattice.cpp
+++ /dev/null
@@ -1,288 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Lattice/Lattice.cpp
-//! @brief Implements class Lattice.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#include "Sample/Lattice/Lattice.h"
-#include "Base/Const/MathConstants.h"
-#include "Base/Vector/Transform3D.h"
-#include "Param/Base/RealParameter.h"
-#include "Sample/Lattice/ISelectionRule.h"
-#include <gsl/gsl_linalg.h>
-
-Lattice::Lattice()
- : m_selection_rule(nullptr)
- , m_a({1.0, 0.0, 0.0})
- , m_b({0.0, 1.0, 0.0})
- , m_c({0.0, 0.0, 1.0})
- , m_cache_ok(false)
-{
- setName("Lattice");
- initialize();
- registerBasisVectors();
-}
-
-Lattice::Lattice(const kvector_t a1, const kvector_t a2, const kvector_t a3)
- : m_selection_rule(nullptr), m_a(a1), m_b(a2), m_c(a3), m_cache_ok(false)
-{
- setName("Lattice");
- initialize();
- registerBasisVectors();
-}
-
-Lattice::Lattice(const Lattice& lattice)
- : INode()
- , m_selection_rule(nullptr)
- , m_a(lattice.m_a)
- , m_b(lattice.m_b)
- , m_c(lattice.m_c)
- , m_cache_ok(false)
-{
- setName("Lattice");
- initialize();
- if (lattice.m_selection_rule)
- setSelectionRule(*lattice.m_selection_rule);
- registerBasisVectors();
-}
-
-Lattice::~Lattice()
-{
- delete m_selection_rule;
-}
-
-Lattice Lattice::transformed(const Transform3D& transform) const
-{
- kvector_t a1 = transform.transformed(m_a);
- kvector_t a2 = transform.transformed(m_b);
- kvector_t a3 = transform.transformed(m_c);
- Lattice result = {a1, a2, a3};
- if (m_selection_rule)
- result.setSelectionRule(*m_selection_rule);
- return result;
-}
-
-void Lattice::initialize() const
-{
- computeReciprocalVectors();
- m_cache_ok = true;
-}
-
-void Lattice::resetBasis(const kvector_t a1, const kvector_t a2, const kvector_t a3)
-{
- m_a = a1;
- m_b = a2;
- m_c = a3;
- onChange();
-}
-
-kvector_t Lattice::getMillerDirection(double h, double k, double l) const
-{
- kvector_t b1, b2, b3;
- getReciprocalLatticeBasis(b1, b2, b3);
- kvector_t direction = h * b1 + k * b2 + l * b3;
- return direction.unit();
-}
-
-double Lattice::volume() const
-{
- return std::abs(m_a.dot(m_b.cross(m_c)));
-}
-
-void Lattice::getReciprocalLatticeBasis(kvector_t& b1, kvector_t& b2, kvector_t& b3) const
-{
- if (!m_cache_ok) {
- initialize();
- }
- b1 = m_ra;
- b2 = m_rb;
- b3 = m_rc;
- return;
-}
-
-ivector_t Lattice::getNearestLatticeVectorCoordinates(const kvector_t vector_in) const
-{
- double a1_coord = vector_in.dot(m_ra) / M_TWOPI;
- double a2_coord = vector_in.dot(m_rb) / M_TWOPI;
- double a3_coord = vector_in.dot(m_rc) / M_TWOPI;
- int c1 = static_cast<int>(std::floor(a1_coord + 0.5));
- int c2 = static_cast<int>(std::floor(a2_coord + 0.5));
- int c3 = static_cast<int>(std::floor(a3_coord + 0.5));
- return ivector_t(c1, c2, c3);
-}
-
-ivector_t Lattice::getNearestReciprocalLatticeVectorCoordinates(const kvector_t vector_in) const
-{
- double b1_coord = vector_in.dot(m_a) / M_TWOPI;
- double b2_coord = vector_in.dot(m_b) / M_TWOPI;
- double b3_coord = vector_in.dot(m_c) / M_TWOPI;
- int c1 = static_cast<int>(std::floor(b1_coord + 0.5));
- int c2 = static_cast<int>(std::floor(b2_coord + 0.5));
- int c3 = static_cast<int>(std::floor(b3_coord + 0.5));
- return ivector_t(c1, c2, c3);
-}
-
-std::vector<kvector_t> Lattice::reciprocalLatticeVectorsWithinRadius(const kvector_t input_vector,
- double radius) const
-{
- if (!m_cache_ok)
- initialize();
- ivector_t nearest_coords = getNearestReciprocalLatticeVectorCoordinates(input_vector);
- return vectorsWithinRadius(input_vector, nearest_coords, radius, m_ra, m_rb, m_rc, m_a, m_b,
- m_c);
-}
-
-Lattice Lattice::createCubicLattice(double a)
-{
- kvector_t a1(a, 0.0, 0.0);
- kvector_t a2(0.0, a, 0.0);
- kvector_t a3(0.0, 0.0, a);
- return Lattice(a1, a2, a3);
-}
-
-Lattice Lattice::createFCCLattice(double a)
-{
- double b = a / 2.0;
- kvector_t a1(0.0, b, b);
- kvector_t a2(b, 0.0, b);
- kvector_t a3(b, b, 0.0);
- return Lattice(a1, a2, a3);
-}
-
-Lattice Lattice::createHexagonalLattice(double a, double c)
-{
- kvector_t a1(a, 0.0, 0.0);
- kvector_t a2(-a / 2.0, std::sqrt(3.0) * a / 2.0, 0.0);
- kvector_t a3(0.0, 0.0, c);
- return Lattice(a1, a2, a3);
-}
-
-Lattice Lattice::createHCPLattice(double a, double c)
-{
- kvector_t a1(a, 0.0, 0.0);
- kvector_t a2(-a / 2.0, std::sqrt(3.0) * a / 2.0, 0);
- kvector_t a3(a / 2.0, a / std::sqrt(3.0) / 2.0, c / 2.0);
- return Lattice(a1, a2, a3);
-}
-
-Lattice Lattice::createTetragonalLattice(double a, double c)
-{
- kvector_t a1(a, 0.0, 0.0);
- kvector_t a2(0.0, a, 0.0);
- kvector_t a3(0.0, 0.0, c);
- return Lattice(a1, a2, a3);
-}
-
-Lattice Lattice::createBCTLattice(double a, double c)
-{
- kvector_t a1(a, 0.0, 0.0);
- kvector_t a2(0.0, a, 0.0);
- kvector_t a3(a / 2.0, a / 2.0, c / 2.0);
- return Lattice(a1, a2, a3);
-}
-
-void Lattice::onChange()
-{
- m_cache_ok = false;
-}
-
-void Lattice::registerBasisVectors()
-{
- if (!parameter(XComponentName("BasisA"))) {
- registerVector("BasisA", &m_a, "nm");
- registerVector("BasisB", &m_b, "nm");
- registerVector("BasisC", &m_c, "nm");
- }
-}
-
-void Lattice::computeReciprocalVectors() const
-{
- kvector_t a23 = m_b.cross(m_c);
- kvector_t a31 = m_c.cross(m_a);
- kvector_t a12 = m_a.cross(m_b);
- m_ra = M_TWOPI / m_a.dot(a23) * a23;
- m_rb = M_TWOPI / m_b.dot(a31) * a31;
- m_rc = M_TWOPI / m_c.dot(a12) * a12;
-}
-
-std::vector<kvector_t> Lattice::vectorsWithinRadius(const kvector_t input_vector,
- const ivector_t& nearest_coords, double radius,
- const kvector_t v1, const kvector_t v2,
- const kvector_t v3, const kvector_t rec1,
- const kvector_t rec2,
- const kvector_t rec3) const
-{
- int max_X = static_cast<int>(std::floor(rec1.mag() * radius / M_TWOPI + 0.5));
- int max_Y = static_cast<int>(std::floor(rec2.mag() * radius / M_TWOPI + 0.5));
- int max_Z = static_cast<int>(std::floor(rec3.mag() * radius / M_TWOPI + 0.5));
-
- std::vector<kvector_t> ret;
- for (int index_X = -max_X; index_X <= max_X; ++index_X) {
- for (int index_Y = -max_Y; index_Y <= max_Y; ++index_Y) {
- for (int index_Z = -max_Z; index_Z <= max_Z; ++index_Z) {
- ivector_t coords(index_X + nearest_coords[0], index_Y + nearest_coords[1],
- index_Z + nearest_coords[2]);
- if (m_selection_rule && !m_selection_rule->coordinateSelected(coords))
- continue;
- kvector_t latticePoint = coords[0] * v1 + coords[1] * v2 + coords[2] * v3;
- if ((latticePoint - input_vector).mag() <= radius)
- ret.push_back(latticePoint);
- }
- }
- }
- return ret;
-}
-
-void Lattice::computeInverseVectors(const kvector_t v1, const kvector_t v2, const kvector_t v3,
- kvector_t o1, kvector_t o2, kvector_t o3)
-{
- gsl_matrix* p_basisMatrix = gsl_matrix_alloc(3, 3);
- gsl_matrix* p_inverseMatrix = gsl_matrix_alloc(3, 3);
- gsl_permutation* p_perm = gsl_permutation_alloc(3);
- int s;
-
- gsl_matrix_set(p_basisMatrix, 0, 0, v1.x());
- gsl_matrix_set(p_basisMatrix, 0, 1, v2.x());
- gsl_matrix_set(p_basisMatrix, 0, 2, v3.x());
-
- gsl_matrix_set(p_basisMatrix, 1, 0, v1.y());
- gsl_matrix_set(p_basisMatrix, 1, 1, v2.y());
- gsl_matrix_set(p_basisMatrix, 1, 2, v3.y());
-
- gsl_matrix_set(p_basisMatrix, 2, 0, v1.z());
- gsl_matrix_set(p_basisMatrix, 2, 1, v2.z());
- gsl_matrix_set(p_basisMatrix, 2, 2, v3.z());
-
- gsl_linalg_LU_decomp(p_basisMatrix, p_perm, &s);
- gsl_linalg_LU_invert(p_basisMatrix, p_perm, p_inverseMatrix);
-
- o1.setX(gsl_matrix_get(p_inverseMatrix, 0, 0));
- o1.setY(gsl_matrix_get(p_inverseMatrix, 1, 0));
- o1.setZ(gsl_matrix_get(p_inverseMatrix, 2, 0));
-
- o2.setX(gsl_matrix_get(p_inverseMatrix, 0, 1));
- o2.setY(gsl_matrix_get(p_inverseMatrix, 1, 1));
- o2.setZ(gsl_matrix_get(p_inverseMatrix, 2, 1));
-
- o3.setX(gsl_matrix_get(p_inverseMatrix, 0, 2));
- o3.setY(gsl_matrix_get(p_inverseMatrix, 1, 2));
- o3.setZ(gsl_matrix_get(p_inverseMatrix, 2, 2));
-
- gsl_permutation_free(p_perm);
- gsl_matrix_free(p_basisMatrix);
- gsl_matrix_free(p_inverseMatrix);
-}
-
-void Lattice::setSelectionRule(const ISelectionRule& p_selection_rule)
-{
- delete m_selection_rule;
- m_selection_rule = p_selection_rule.clone();
-}
diff --git a/Sample/Lattice/Lattice.h b/Sample/Lattice/Lattice.h
deleted file mode 100644
index ab640a2a1959228f266d784c3c25eb19b544e1d7..0000000000000000000000000000000000000000
--- a/Sample/Lattice/Lattice.h
+++ /dev/null
@@ -1,119 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Lattice/Lattice.h
-//! @brief Defines class Lattice.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#ifndef BORNAGAIN_SAMPLE_LATTICE_LATTICE_H
-#define BORNAGAIN_SAMPLE_LATTICE_LATTICE_H
-
-#include "Param/Node/INode.h"
-#include <vector>
-
-class ISelectionRule;
-class Transform3D;
-
-//! A lattice with three basis vectors.
-//! @ingroup samples
-
-class Lattice : public INode
-{
-public:
- Lattice();
- Lattice(const kvector_t a1, const kvector_t a2, const kvector_t a3);
- Lattice(const Lattice& lattice);
- ~Lattice() override;
-
- void accept(INodeVisitor* visitor) const override { visitor->visit(this); }
-
- //! Creates transformed lattice
- Lattice transformed(const Transform3D& transform) const;
-
- //! Initializes cached data
- void initialize() const;
-
- //! Returns basis vector a
- kvector_t getBasisVectorA() const { return m_a; }
-
- //! Returns basis vector b
- kvector_t getBasisVectorB() const { return m_b; }
-
- //! Returns basis vector c
- kvector_t getBasisVectorC() const { return m_c; }
-
- //! Resets the basis vectors
- void resetBasis(const kvector_t a1, const kvector_t a2, const kvector_t a3);
-
- //! Returns normalized direction corresponding to the given Miller indices
- kvector_t getMillerDirection(double h, double k, double l) const;
-
- //! Returns the volume of the unit cell
- double volume() const;
-
- //! Returns the reciprocal basis vectors
- void getReciprocalLatticeBasis(kvector_t& b1, kvector_t& b2, kvector_t& b3) const;
-
- //! Returns the nearest lattice point from a given vector
- ivector_t getNearestLatticeVectorCoordinates(const kvector_t vector_in) const;
-
- //! Returns the nearest reciprocal lattice point from a given vector
- ivector_t getNearestReciprocalLatticeVectorCoordinates(const kvector_t vector_in) const;
-
- //! Computes a list of reciprocal lattice vectors within a specified distance of a given vector
- std::vector<kvector_t> reciprocalLatticeVectorsWithinRadius(const kvector_t input_vector,
- double radius) const;
-
- //! Sets a selection rule for the reciprocal vectors
- void setSelectionRule(const ISelectionRule& p_selection_rule);
-
- //! Returns a primitive cubic (cP) lattice with edge length a.
- static Lattice createCubicLattice(double a);
-
- //! Returns a face-centered cubic (cF) lattice with edge length a.
- static Lattice createFCCLattice(double a);
-
- //! Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c.
- static Lattice createHexagonalLattice(double a, double c);
-
- //! TODO: Clarify how this is meant: HCP is not a Bravais lattice.
- static Lattice createHCPLattice(double a, double c);
-
- //! Returns a primitive tetragonal (tP) lattice with square base edge a and height c.
- static Lattice createTetragonalLattice(double a, double c);
-
- //! Returns a body-centered cubic (cI) lattice with edge length a.
- //! TODO: Clarify meaning of c
- static Lattice createBCTLattice(double a, double c);
-
- void onChange() override;
-
-private:
- Lattice& operator=(const Lattice& lattice);
-
- void registerBasisVectors();
-
- std::vector<kvector_t> vectorsWithinRadius(const kvector_t input_vector,
- const ivector_t& nearest_coords, double radius,
- const kvector_t v1, const kvector_t v2,
- const kvector_t v3, const kvector_t rec1,
- const kvector_t rec2, const kvector_t rec3) const;
-
- void computeReciprocalVectors() const;
- static void computeInverseVectors(const kvector_t v1, const kvector_t v2, const kvector_t v3,
- kvector_t o1, kvector_t o2, kvector_t o3);
- ISelectionRule* m_selection_rule;
- kvector_t m_a, m_b, m_c; //!< Basis vectors in real space
- mutable kvector_t m_ra, m_rb, m_rc; //!< Cache of basis vectors in reciprocal space
- //! Boolean indicating if the reciprocal vectors are already initialized in the cache
- mutable bool m_cache_ok;
-};
-
-#endif // BORNAGAIN_SAMPLE_LATTICE_LATTICE_H
diff --git a/Sample/Lattice/Lattice3D.cpp b/Sample/Lattice/Lattice3D.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1d6bb2bef82b536f5ac1ce6a9f8e25f55cc12ac5
--- /dev/null
+++ b/Sample/Lattice/Lattice3D.cpp
@@ -0,0 +1,131 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Sample/Lattice/Lattice3D.cpp
+//! @brief Implements class Lattice.
+//!
+//! @homepage http://www.bornagainproject.org
+//! @license GNU General Public License v3 or higher (see COPYING)
+//! @copyright Forschungszentrum Jülich GmbH 2018
+//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
+//
+// ************************************************************************** //
+
+#include "Sample/Lattice/Lattice3D.h"
+#include "Base/Const/MathConstants.h"
+#include "Base/Vector/Transform3D.h"
+#include "Param/Base/RealParameter.h"
+#include "Sample/Lattice/ISelectionRule.h"
+#include <gsl/gsl_linalg.h>
+
+Lattice3D::Lattice3D(const kvector_t a, const kvector_t b, const kvector_t c)
+ : m_a(a), m_b(b), m_c(c)
+{
+ setName("Lattice");
+ initialize();
+}
+
+Lattice3D::Lattice3D(const Lattice3D& lattice)
+ : INode(), m_a(lattice.m_a), m_b(lattice.m_b), m_c(lattice.m_c)
+{
+ setName("Lattice");
+ initialize();
+ if (lattice.m_selection_rule)
+ setSelectionRule(*lattice.m_selection_rule);
+}
+
+Lattice3D::~Lattice3D() = default;
+
+void Lattice3D::initialize()
+{
+ computeReciprocalVectors();
+ if (!parameter(XComponentName("BasisA"))) {
+ registerVector("BasisA", &m_a, "nm");
+ registerVector("BasisB", &m_b, "nm");
+ registerVector("BasisC", &m_c, "nm");
+ }
+}
+
+void Lattice3D::onChange()
+{
+ computeReciprocalVectors();
+}
+
+Lattice3D Lattice3D::transformed(const Transform3D& transform) const
+{
+ kvector_t q1 = transform.transformed(m_a);
+ kvector_t q2 = transform.transformed(m_b);
+ kvector_t q3 = transform.transformed(m_c);
+ Lattice3D result = {q1, q2, q3};
+ if (m_selection_rule)
+ result.setSelectionRule(*m_selection_rule);
+ return result;
+}
+
+//! Currently unused but may be useful for checks
+kvector_t Lattice3D::getMillerDirection(double h, double k, double l) const
+{
+ kvector_t direction = h * m_ra + k * m_rb + l * m_rc;
+ return direction.unit();
+}
+
+double Lattice3D::unitCellVolume() const
+{
+ return std::abs(m_a.dot(m_b.cross(m_c)));
+}
+
+//! Currently only used in tests
+void Lattice3D::getReciprocalLatticeBasis(kvector_t& ra, kvector_t& rb, kvector_t& rc) const
+{
+ ra = m_ra;
+ rb = m_rb;
+ rc = m_rc;
+}
+
+ivector_t Lattice3D::getNearestReciprocalLatticeVectorCoordinates(const kvector_t q) const
+{
+ return {(int)std::lround(q.dot(m_a) / M_TWOPI), (int)std::lround(q.dot(m_b) / M_TWOPI),
+ (int)std::lround(q.dot(m_c) / M_TWOPI)};
+}
+
+std::vector<kvector_t> Lattice3D::reciprocalLatticeVectorsWithinRadius(const kvector_t q,
+ double dq) const
+{
+ ivector_t nearest_coords = getNearestReciprocalLatticeVectorCoordinates(q);
+
+ int max_X = std::lround(m_a.mag() * dq / M_TWOPI);
+ int max_Y = std::lround(m_b.mag() * dq / M_TWOPI);
+ int max_Z = std::lround(m_c.mag() * dq / M_TWOPI);
+
+ std::vector<kvector_t> ret;
+ for (int index_X = -max_X; index_X <= max_X; ++index_X) {
+ for (int index_Y = -max_Y; index_Y <= max_Y; ++index_Y) {
+ for (int index_Z = -max_Z; index_Z <= max_Z; ++index_Z) {
+ ivector_t coords(index_X + nearest_coords[0], index_Y + nearest_coords[1],
+ index_Z + nearest_coords[2]);
+ if (m_selection_rule && !m_selection_rule->coordinateSelected(coords))
+ continue;
+ kvector_t latticePoint = coords[0] * m_ra + coords[1] * m_rb + coords[2] * m_rc;
+ if ((latticePoint - q).mag() <= dq)
+ ret.push_back(latticePoint);
+ }
+ }
+ }
+ return ret;
+}
+
+void Lattice3D::computeReciprocalVectors() const
+{
+ kvector_t q23 = m_b.cross(m_c);
+ kvector_t q31 = m_c.cross(m_a);
+ kvector_t q12 = m_a.cross(m_b);
+ m_ra = M_TWOPI / m_a.dot(q23) * q23;
+ m_rb = M_TWOPI / m_b.dot(q31) * q31;
+ m_rc = M_TWOPI / m_c.dot(q12) * q12;
+}
+
+void Lattice3D::setSelectionRule(const ISelectionRule& selection_rule)
+{
+ m_selection_rule.reset(selection_rule.clone());
+}
diff --git a/Sample/Lattice/Lattice3D.h b/Sample/Lattice/Lattice3D.h
new file mode 100644
index 0000000000000000000000000000000000000000..b4ae819e5279dbe695bf53bdf43b7c679ae0e8eb
--- /dev/null
+++ b/Sample/Lattice/Lattice3D.h
@@ -0,0 +1,84 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Sample/Lattice/Lattice3D.h
+//! @brief Defines class Lattice.
+//!
+//! @homepage http://www.bornagainproject.org
+//! @license GNU General Public License v3 or higher (see COPYING)
+//! @copyright Forschungszentrum Jülich GmbH 2018
+//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
+//
+// ************************************************************************** //
+
+#ifndef BORNAGAIN_SAMPLE_LATTICE_LATTICE_H
+#define BORNAGAIN_SAMPLE_LATTICE_LATTICE_H
+
+#include "Param/Node/INode.h"
+#include <memory>
+#include <vector>
+
+class ISelectionRule;
+class Transform3D;
+
+//! A Bravais lattice, characterized by three basis vectors, and optionally an ISelectionRule.
+
+//! @ingroup samples
+
+class Lattice3D : public INode
+{
+public:
+ Lattice3D() = delete;
+ Lattice3D(const kvector_t a, const kvector_t b, const kvector_t c);
+ Lattice3D(const Lattice3D& lattice);
+ ~Lattice3D() override;
+ Lattice3D& operator=(const Lattice3D&) = delete;
+
+ void accept(INodeVisitor* visitor) const override { visitor->visit(this); }
+
+ //! Creates transformed lattice
+ Lattice3D transformed(const Transform3D& transform) const;
+
+ //! Initializes cached data
+ void initialize();
+
+ //! Returns basis vector a
+ kvector_t getBasisVectorA() const { return m_a; }
+
+ //! Returns basis vector b
+ kvector_t getBasisVectorB() const { return m_b; }
+
+ //! Returns basis vector c
+ kvector_t getBasisVectorC() const { return m_c; }
+
+ //! Returns normalized direction corresponding to the given Miller indices
+ kvector_t getMillerDirection(double h, double k, double l) const;
+
+ //! Returns the volume of the unit cell
+ double unitCellVolume() const;
+
+ //! Returns the reciprocal basis vectors
+ void getReciprocalLatticeBasis(kvector_t& ra, kvector_t& rb, kvector_t& rc) const;
+
+ //! Returns the nearest reciprocal lattice point from a given vector
+ ivector_t getNearestReciprocalLatticeVectorCoordinates(const kvector_t q) const;
+
+ //! Returns a list of reciprocal lattice vectors within distance dq of a vector q
+ std::vector<kvector_t> reciprocalLatticeVectorsWithinRadius(const kvector_t q, double dq) const;
+
+ //! Sets a selection rule for the reciprocal vectors
+ void setSelectionRule(const ISelectionRule& selection_rule);
+
+private:
+ void onChange() override;
+
+ void computeReciprocalVectors() const;
+
+ kvector_t m_a, m_b, m_c; //!< Basis vectors in real space
+ std::unique_ptr<ISelectionRule> m_selection_rule;
+
+ mutable kvector_t m_ra, m_rb, m_rc; //!< Cache of basis vectors in reciprocal space
+};
+
+#endif // BORNAGAIN_SAMPLE_LATTICE_LATTICE_H
diff --git a/Sample/Lattice/LatticeUtils.cpp b/Sample/Lattice/LatticeUtils.cpp
deleted file mode 100644
index d1fd9a8b02d1b4eb98b2b3cb946e8c0046234e38..0000000000000000000000000000000000000000
--- a/Sample/Lattice/LatticeUtils.cpp
+++ /dev/null
@@ -1,47 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Lattice/LatticeUtils.cpp
-//! @brief Implements factory functions for different types of lattices and orientations.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#include "Sample/Lattice/LatticeUtils.h"
-#include "Sample/Lattice/ILatticeOrientation.h"
-
-Lattice LatticeUtils::createFCCLattice(double lattice_constant,
- const ILatticeOrientation& orientation)
-{
- const Lattice prim_cubic = Lattice::createCubicLattice(1.0);
- std::unique_ptr<ILatticeOrientation> P_orientation(orientation.clone());
- P_orientation->usePrimitiveLattice(prim_cubic);
- const Transform3D trafo = P_orientation->transformation();
- const Lattice fcc = Lattice::createFCCLattice(lattice_constant);
- return fcc.transformed(trafo);
-}
-
-Lattice LatticeUtils::createHCPLattice(double a, double c, const ILatticeOrientation& orientation)
-{
- const Lattice prim_hexagonal = Lattice::createHexagonalLattice(1.0, c / a);
- std::unique_ptr<ILatticeOrientation> P_orientation(orientation.clone());
- P_orientation->usePrimitiveLattice(prim_hexagonal);
- const Transform3D trafo = P_orientation->transformation();
- const Lattice hcp = Lattice::createHCPLattice(a, c);
- return hcp.transformed(trafo);
-}
-
-Lattice LatticeUtils::createBCTLattice(double a, double c, const ILatticeOrientation& orientation)
-{
- const Lattice prim_tetragonal = Lattice::createTetragonalLattice(1.0, c / a);
- std::unique_ptr<ILatticeOrientation> P_orientation(orientation.clone());
- P_orientation->usePrimitiveLattice(prim_tetragonal);
- const Transform3D trafo = P_orientation->transformation();
- const Lattice hcp = Lattice::createBCTLattice(a, c);
- return hcp.transformed(trafo);
-}
diff --git a/Sample/Lattice/LatticeUtils.h b/Sample/Lattice/LatticeUtils.h
deleted file mode 100644
index aa1b418938adbff49338a0faa6bc5bacbb3c31e1..0000000000000000000000000000000000000000
--- a/Sample/Lattice/LatticeUtils.h
+++ /dev/null
@@ -1,29 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Lattice/LatticeUtils.h
-//! @brief Defines factory functions for different types of lattices and orientations.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#ifndef BORNAGAIN_SAMPLE_LATTICE_LATTICEUTILS_H
-#define BORNAGAIN_SAMPLE_LATTICE_LATTICEUTILS_H
-
-#include "Sample/Lattice/Lattice.h"
-
-class ILatticeOrientation;
-
-namespace LatticeUtils
-{
-Lattice createFCCLattice(double lattice_constant, const ILatticeOrientation& orientation);
-Lattice createHCPLattice(double a, double c, const ILatticeOrientation& orientation);
-Lattice createBCTLattice(double a, double c, const ILatticeOrientation& orientation);
-} // namespace LatticeUtils
-
-#endif // BORNAGAIN_SAMPLE_LATTICE_LATTICEUTILS_H
diff --git a/Sample/Multilayer/Layer.cpp b/Sample/Multilayer/Layer.cpp
index f33917ce14f6d9337aa9a4bb66264aaffa35c665..ec7a8265243dabf5f4d4c0b342c788a2d467f836 100644
--- a/Sample/Multilayer/Layer.cpp
+++ b/Sample/Multilayer/Layer.cpp
@@ -16,7 +16,7 @@
#include "Base/Types/Exceptions.h"
#include "Param/Base/ParameterPool.h"
#include "Param/Base/RealParameter.h"
-#include "Sample/Correlations/ILayout.h"
+#include "Sample/Aggregate/ParticleLayout.h"
//! Constructor of a layer with thickness and material
//! @param material: material the layer is made of
@@ -54,16 +54,16 @@ void Layer::setMaterial(Material material)
m_material = std::move(material);
}
-void Layer::addLayout(const ILayout& layout)
+void Layer::addLayout(const ParticleLayout& layout)
{
- ILayout* clone = layout.clone();
+ ParticleLayout* clone = layout.clone();
m_layouts.push_back(clone);
registerChild(clone);
}
-std::vector<const ILayout*> Layer::layouts() const
+std::vector<const ParticleLayout*> Layer::layouts() const
{
- std::vector<const ILayout*> result;
+ std::vector<const ParticleLayout*> result;
for (auto p_layout : m_layouts)
result.push_back(p_layout);
return result;
diff --git a/Sample/Multilayer/Layer.h b/Sample/Multilayer/Layer.h
index 5d2b7fe382367c6261d2e895a95821b29dbb7a8e..1cf7bfaa182e3e800170c4f2847ec6ee596db2be 100644
--- a/Sample/Multilayer/Layer.h
+++ b/Sample/Multilayer/Layer.h
@@ -19,7 +19,7 @@
#include "Sample/Material/Material.h"
#include "Sample/Scattering/ISample.h"
-class ILayout;
+class ParticleLayout;
//! A layer, with thickness (in nanometer) and material.
//! @ingroup samples
@@ -41,9 +41,9 @@ public:
const Material* material() const override final { return &m_material; }
void setMaterial(Material material);
- void addLayout(const ILayout& decoration);
+ void addLayout(const ParticleLayout& decoration);
size_t numberOfLayouts() const { return m_layouts.size(); }
- std::vector<const ILayout*> layouts() const;
+ std::vector<const ParticleLayout*> layouts() const;
std::vector<const INode*> getChildren() const override final;
@@ -53,11 +53,11 @@ public:
unsigned int numberOfSlices() const { return m_n_slices; }
private:
- Material m_material; //!< material
- kvector_t m_B_field; //!< cached value of magnetic induction
- double m_thickness; //!< layer thickness in nanometers
- SafePointerVector<ILayout> m_layouts; //!< independent layouts in this layer
- unsigned int m_n_slices = 1; //!< number of slices to create for graded layer approach
+ Material m_material; //!< material
+ kvector_t m_B_field; //!< cached value of magnetic induction
+ double m_thickness; //!< layer thickness in nanometers
+ SafePointerVector<ParticleLayout> m_layouts; //!< independent layouts in this layer
+ unsigned int m_n_slices = 1; //!< number of slices to create for graded layer approach
};
#endif // BORNAGAIN_SAMPLE_MULTILAYER_LAYER_H
diff --git a/Sample/Multilayer/MultiLayer.cpp b/Sample/Multilayer/MultiLayer.cpp
index 1a9228ab7bc95209fb4b7130aee2df0d50179ff5..5106f703f460b544aba21b332c234a6a4c521657 100644
--- a/Sample/Multilayer/MultiLayer.cpp
+++ b/Sample/Multilayer/MultiLayer.cpp
@@ -16,7 +16,7 @@
#include "Base/Types/Exceptions.h"
#include "Param/Base/ParameterPool.h"
#include "Param/Base/RealParameter.h"
-#include "Sample/Correlations/ILayout.h"
+#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/Material/MaterialUtils.h"
#include "Sample/Multilayer/Layer.h"
#include "Sample/Multilayer/MultiLayerUtils.h"
diff --git a/Sample/Multilayer/MultiLayer.h b/Sample/Multilayer/MultiLayer.h
index da2325fad302e76ea4eedc56add90ec28b3b62d6..0a647a489ad492f4bd85f968b0c74610a4c31e36 100644
--- a/Sample/Multilayer/MultiLayer.h
+++ b/Sample/Multilayer/MultiLayer.h
@@ -20,7 +20,7 @@
#include "Sample/Scattering/ISample.h"
#include <functional>
-class ILayout;
+class ParticleLayout;
class Layer;
class LayerInterface;
class LayerRoughness;
diff --git a/Sample/Multilayer/MultiLayerUtils.cpp b/Sample/Multilayer/MultiLayerUtils.cpp
index befbd7a17c2ac8781bf9a17a2eb6973cae180cc7..f95b6e14dc00609b13332b7b3fc99bd49829e958 100644
--- a/Sample/Multilayer/MultiLayerUtils.cpp
+++ b/Sample/Multilayer/MultiLayerUtils.cpp
@@ -13,7 +13,7 @@
// ************************************************************************** //
#include "Sample/Multilayer/MultiLayerUtils.h"
-#include "Sample/Correlations/ILayout.h"
+#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/Material/MaterialUtils.h"
#include "Sample/Multilayer/Layer.h"
#include "Sample/Multilayer/MultiLayer.h"
@@ -23,7 +23,20 @@
namespace
{
-std::vector<double> BottomLayerCoordinates(const MultiLayer& multilayer);
+
+std::vector<double> BottomLayerCoordinates(const MultiLayer& multilayer)
+{
+ auto n_layers = multilayer.numberOfLayers();
+ if (n_layers < 2)
+ return {};
+ std::vector<double> result(n_layers - 1);
+ result[0] = 0.0;
+ for (size_t i = 1; i < n_layers - 1; ++i) {
+ result[i] = result[i - 1] - MultiLayerUtils::LayerThickness(multilayer, i);
+ }
+ return result;
+}
+
} // namespace
double MultiLayerUtils::LayerThickness(const MultiLayer& multilayer, size_t i)
@@ -92,19 +105,3 @@ bool MultiLayerUtils::hasRoughness(const MultiLayer& sample)
}
return false;
}
-
-namespace
-{
-std::vector<double> BottomLayerCoordinates(const MultiLayer& multilayer)
-{
- auto n_layers = multilayer.numberOfLayers();
- if (n_layers < 2)
- return {};
- std::vector<double> result(n_layers - 1);
- result[0] = 0.0;
- for (size_t i = 1; i < n_layers - 1; ++i) {
- result[i] = result[i - 1] - MultiLayerUtils::LayerThickness(multilayer, i);
- }
- return result;
-}
-} // unnamed namespace
diff --git a/Sample/Particle/Crystal.cpp b/Sample/Particle/Crystal.cpp
index 5d68e28fbbd837d514a4b55368086b22b864d701..55c15b47154defb3f6c49107c11aa1ca6328172b 100644
--- a/Sample/Particle/Crystal.cpp
+++ b/Sample/Particle/Crystal.cpp
@@ -18,13 +18,22 @@
#include "Sample/Particle/ParticleComposition.h"
#include "Sample/Particle/SlicedParticle.h"
-Crystal::Crystal(const IParticle& lattice_basis, const Lattice& lattice)
- : m_lattice(lattice), m_position_variance(0.0)
+Crystal::Crystal(const IParticle& basis, const Lattice3D& lattice, double position_variance)
+ : m_lattice(lattice), m_position_variance(position_variance)
{
setName("Crystal");
- m_lattice_basis.reset(lattice_basis.clone());
- m_lattice_basis->registerAbundance(false);
- registerChild(m_lattice_basis.get());
+ m_basis.reset(basis.clone());
+ m_basis->registerAbundance(false);
+ registerChild(m_basis.get());
+ registerChild(&m_lattice);
+}
+
+Crystal::Crystal(IParticle* p_basis, const Lattice3D& lattice, double position_variance)
+ : m_lattice(lattice), m_position_variance(position_variance)
+{
+ setName("Crystal");
+ m_basis.reset(p_basis);
+ registerChild(m_basis.get());
registerChild(&m_lattice);
}
@@ -32,17 +41,15 @@ Crystal::~Crystal() = default;
Crystal* Crystal::clone() const
{
- Crystal* p_new = new Crystal(*m_lattice_basis, m_lattice);
- p_new->setPositionVariance(m_position_variance);
- return p_new;
+ return new Crystal(*m_basis, m_lattice, m_position_variance);
}
IFormFactor* Crystal::createTotalFormFactor(const IFormFactor& meso_crystal_form_factor,
const IRotation* p_rotation,
const kvector_t& translation) const
{
- Lattice transformed_lattice = transformedLattice(p_rotation);
- std::unique_ptr<IParticle> P_basis_clone{m_lattice_basis->clone()};
+ Lattice3D transformed_lattice = transformedLattice(p_rotation);
+ std::unique_ptr<IParticle> P_basis_clone{m_basis->clone()};
if (p_rotation)
P_basis_clone->rotate(*p_rotation);
P_basis_clone->translate(translation);
@@ -54,10 +61,10 @@ IFormFactor* Crystal::createTotalFormFactor(const IFormFactor& meso_crystal_form
std::vector<HomogeneousRegion> Crystal::homogeneousRegions() const
{
std::vector<HomogeneousRegion> result;
- double unit_cell_volume = m_lattice.volume();
+ double unit_cell_volume = m_lattice.unitCellVolume();
if (unit_cell_volume <= 0)
return {};
- auto particles = m_lattice_basis->decompose();
+ auto particles = m_basis->decompose();
ZLimits limits;
for (auto p_particle : particles) {
auto sliced_particle = p_particle->createSlicedParticle(limits);
@@ -69,24 +76,14 @@ std::vector<HomogeneousRegion> Crystal::homogeneousRegions() const
return result;
}
-Lattice Crystal::transformedLattice(const IRotation* p_rotation) const
+Lattice3D Crystal::transformedLattice(const IRotation* p_rotation) const
{
- if (p_rotation)
- return m_lattice.transformed(p_rotation->getTransform3D());
- else
+ if (!p_rotation)
return m_lattice;
+ return m_lattice.transformed(p_rotation->getTransform3D());
}
std::vector<const INode*> Crystal::getChildren() const
{
- return std::vector<const INode*>() << m_lattice_basis << &m_lattice;
-}
-
-Crystal::Crystal(IParticle* p_lattice_basis, const Lattice& lattice)
- : m_lattice(lattice), m_position_variance(0.0)
-{
- setName("Crystal");
- m_lattice_basis.reset(p_lattice_basis);
- registerChild(m_lattice_basis.get());
- registerChild(&m_lattice);
+ return std::vector<const INode*>() << m_basis << &m_lattice;
}
diff --git a/Sample/Particle/Crystal.h b/Sample/Particle/Crystal.h
index b60de86420421deb8ea305ae46968c655fb62572..c9a247a38e373a7051fdfcadd71d118bb1b2d7a0 100644
--- a/Sample/Particle/Crystal.h
+++ b/Sample/Particle/Crystal.h
@@ -15,17 +15,27 @@
#ifndef BORNAGAIN_SAMPLE_PARTICLE_CRYSTAL_H
#define BORNAGAIN_SAMPLE_PARTICLE_CRYSTAL_H
-#include "Sample/Lattice/Lattice.h"
-#include "Sample/Particle/IClusteredParticles.h"
+#include "Sample/Lattice/Lattice3D.h"
+#include "Sample/Scattering/ISample.h"
-//! A crystal structure with a ParticleComposition as a basis.
+class IFormFactor;
+class IRotation;
+struct HomogeneousRegion;
+
+//! A crystal structure, defined by a Bravais lattice, a basis, and a position variance.
+//!
+//! The basis is either a Particle or a ParticleComposition.
+//!
+//! Computations are delegated to class FormFactorCrystal.
+//!
//! Used in MesoCrystal, where it is given an outer shape.
+//!
//! @ingroup samples
-class Crystal : public IClusteredParticles
+class Crystal : public ISample
{
public:
- Crystal(const IParticle& lattice_basis, const Lattice& lattice);
+ Crystal(const IParticle& basis, const Lattice3D& lattice, double position_variance = 0);
~Crystal();
Crystal* clone() const override final;
@@ -34,22 +44,20 @@ public:
IFormFactor* createTotalFormFactor(const IFormFactor& meso_crystal_form_factor,
const IRotation* p_rotation,
- const kvector_t& translation) const override final;
-
- std::vector<HomogeneousRegion> homogeneousRegions() const override final;
+ const kvector_t& translation) const;
- Lattice transformedLattice(const IRotation* p_rotation = nullptr) const;
+ std::vector<HomogeneousRegion> homogeneousRegions() const;
- void setPositionVariance(double position_variance) { m_position_variance = position_variance; }
+ Lattice3D transformedLattice(const IRotation* p_rotation = nullptr) const;
std::vector<const INode*> getChildren() const override final;
private:
- Crystal(IParticle* p_lattice_basis, const Lattice& lattice);
+ Crystal(IParticle* p_basis, const Lattice3D& lattice, double position_variance = 0);
- Lattice m_lattice;
- std::unique_ptr<IParticle> m_lattice_basis;
- double m_position_variance;
+ Lattice3D m_lattice;
+ std::unique_ptr<IParticle> m_basis;
+ const double m_position_variance;
};
#endif // BORNAGAIN_SAMPLE_PARTICLE_CRYSTAL_H
diff --git a/Sample/Particle/FormFactorCrystal.cpp b/Sample/Particle/FormFactorCrystal.cpp
index e3a5c9663e9bb79f1ee199b3806ffecd2079950a..28cab893db9fd09c8c5c22b64d865b7ff04f39ea 100644
--- a/Sample/Particle/FormFactorCrystal.cpp
+++ b/Sample/Particle/FormFactorCrystal.cpp
@@ -17,7 +17,7 @@
#include "Base/Types/Exceptions.h"
#include "Sample/Material/WavevectorInfo.h"
-FormFactorCrystal::FormFactorCrystal(const Lattice& lattice, const IFormFactor& basis_form_factor,
+FormFactorCrystal::FormFactorCrystal(const Lattice3D& lattice, const IFormFactor& basis_form_factor,
const IFormFactor& meso_form_factor, double position_variance)
: m_lattice(lattice)
, m_basis_form_factor(basis_form_factor.clone())
@@ -65,8 +65,7 @@ complex_t FormFactorCrystal::evaluate(const WavevectorInfo& wavevectors) const
}
// the transformed delta train gets a factor of (2pi)^3/V, but the (2pi)^3
// is canceled by the convolution of Fourier transforms :
- double volume = m_lattice.volume();
- return result / volume;
+ return result / m_lattice.unitCellVolume();
}
Eigen::Matrix2cd FormFactorCrystal::evaluatePol(const WavevectorInfo& wavevectors) const
@@ -90,8 +89,7 @@ Eigen::Matrix2cd FormFactorCrystal::evaluatePol(const WavevectorInfo& wavevector
}
// the transformed delta train gets a factor of (2pi)^3/V, but the (2pi)^3
// is canceled by the convolution of Fourier transforms :
- double volume = m_lattice.volume();
- return result / volume;
+ return result / m_lattice.unitCellVolume();
}
void FormFactorCrystal::calculateLargestReciprocalDistance()
diff --git a/Sample/Particle/FormFactorCrystal.h b/Sample/Particle/FormFactorCrystal.h
index ea098a254b0fc30819a50188d646bbbce2f80326..22acd8a096ea826a43c463813725af89694d6724 100644
--- a/Sample/Particle/FormFactorCrystal.h
+++ b/Sample/Particle/FormFactorCrystal.h
@@ -15,7 +15,7 @@
#ifndef BORNAGAIN_SAMPLE_PARTICLE_FORMFACTORCRYSTAL_H
#define BORNAGAIN_SAMPLE_PARTICLE_FORMFACTORCRYSTAL_H
-#include "Sample/Lattice/Lattice.h"
+#include "Sample/Lattice/Lattice3D.h"
#include "Sample/Scattering/IFormFactorBorn.h"
//! The form factor of a MesoCrystal.
@@ -24,7 +24,7 @@
class FormFactorCrystal : public IFormFactor
{
public:
- FormFactorCrystal(const Lattice& lattice, const IFormFactor& basis_form_factor,
+ FormFactorCrystal(const Lattice3D& lattice, const IFormFactor& basis_form_factor,
const IFormFactor& meso_form_factor, double position_variance = 0.0);
~FormFactorCrystal() override final;
@@ -57,7 +57,7 @@ private:
void calculateLargestReciprocalDistance();
complex_t debyeWallerFactor(const kvector_t& q_i) const;
- Lattice m_lattice;
+ Lattice3D m_lattice;
IFormFactor* m_basis_form_factor;
IFormFactor* m_meso_form_factor; //!< The outer shape of this mesocrystal
double m_position_variance;
diff --git a/Sample/Particle/IClusteredParticles.h b/Sample/Particle/IClusteredParticles.h
deleted file mode 100644
index 0b9ed83f9c521405235ec05c0b1fa5522315ea58..0000000000000000000000000000000000000000
--- a/Sample/Particle/IClusteredParticles.h
+++ /dev/null
@@ -1,42 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Particle/IClusteredParticles.h
-//! @brief Defines class IClusteredParticles.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#ifndef BORNAGAIN_SAMPLE_PARTICLE_ICLUSTEREDPARTICLES_H
-#define BORNAGAIN_SAMPLE_PARTICLE_ICLUSTEREDPARTICLES_H
-
-#include "Sample/Particle/HomogeneousRegion.h"
-#include "Sample/Scattering/ISample.h"
-
-class IFormFactor;
-class IRotation;
-
-//! An ordered assembly of particles. Currently, the only child class is Crystal.
-//! @ingroup samples_internal
-
-class IClusteredParticles : public ISample
-{
-public:
- IClusteredParticles* clone() const override = 0;
-
- //! Creates a total form factor for the mesocrystal with a specific shape and content
- //! The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself
- virtual IFormFactor* createTotalFormFactor(const IFormFactor&, const IRotation*,
- const kvector_t& /*translation*/) const = 0;
-
- //! Creates region information with volumetric densities instead of absolute volume
- //! These densities need to be multiplied by the total mesocrystal volume
- virtual std::vector<HomogeneousRegion> homogeneousRegions() const = 0;
-};
-
-#endif // BORNAGAIN_SAMPLE_PARTICLE_ICLUSTEREDPARTICLES_H
diff --git a/Sample/Particle/MesoCrystal.cpp b/Sample/Particle/MesoCrystal.cpp
index ead55e97686eab54757ddfc15bf6f62702b9b8c0..652ac6de5b320148aba38b1b2b345b4ae51beec2 100644
--- a/Sample/Particle/MesoCrystal.cpp
+++ b/Sample/Particle/MesoCrystal.cpp
@@ -13,13 +13,12 @@
// ************************************************************************** //
#include "Sample/Particle/MesoCrystal.h"
-#include "Sample/Particle/IClusteredParticles.h"
+#include "Sample/Particle/Crystal.h"
#include "Sample/Particle/SlicedParticle.h"
#include "Sample/Scattering/FormFactorDecoratorPositionFactor.h"
#include "Sample/Scattering/FormFactorDecoratorRotation.h"
-MesoCrystal::MesoCrystal(const IClusteredParticles& particle_structure,
- const IFormFactor& form_factor)
+MesoCrystal::MesoCrystal(const Crystal& particle_structure, const IFormFactor& form_factor)
: m_particle_structure(particle_structure.clone()), m_meso_form_factor(form_factor.clone())
{
initialize();
@@ -47,19 +46,19 @@ SlicedParticle MesoCrystal::createSlicedParticle(ZLimits limits) const
{
if (!m_particle_structure || !m_meso_form_factor)
return {};
- std::unique_ptr<IRotation> P_rotation(new IdentityRotation);
+ std::unique_ptr<IRotation> rotation(new IdentityRotation);
if (m_rotation)
- P_rotation.reset(m_rotation->clone());
- std::unique_ptr<IFormFactor> P_tem_ff(
- m_meso_form_factor->createSlicedFormFactor(limits, *P_rotation, m_position));
- std::unique_ptr<IFormFactor> P_total_ff(
- m_particle_structure->createTotalFormFactor(*P_tem_ff, P_rotation.get(), m_position));
+ rotation.reset(m_rotation->clone());
+ std::unique_ptr<IFormFactor> tem_ff(
+ m_meso_form_factor->createSlicedFormFactor(limits, *rotation, m_position));
+ std::unique_ptr<IFormFactor> total_ff(
+ m_particle_structure->createTotalFormFactor(*tem_ff, rotation.get(), m_position));
double meso_volume = m_meso_form_factor->volume();
auto regions = m_particle_structure->homogeneousRegions();
for (auto& region : regions)
region.m_volume *= meso_volume;
SlicedParticle result;
- result.m_slicedff = std::move(P_total_ff);
+ result.m_slicedff = std::move(total_ff);
result.m_regions = regions;
return result;
}
@@ -70,8 +69,8 @@ std::vector<const INode*> MesoCrystal::getChildren() const
<< IParticle::getChildren() << m_particle_structure << m_meso_form_factor;
}
-MesoCrystal::MesoCrystal(IClusteredParticles* p_particle_structure, IFormFactor* p_form_factor)
- : m_particle_structure(p_particle_structure), m_meso_form_factor(p_form_factor)
+MesoCrystal::MesoCrystal(Crystal* particle_structure, IFormFactor* form_factor)
+ : m_particle_structure(particle_structure), m_meso_form_factor(form_factor)
{
initialize();
}
diff --git a/Sample/Particle/MesoCrystal.h b/Sample/Particle/MesoCrystal.h
index 401e9ac4ff79661040046ccb317e99d67a46c836..b2a5f1d87f58bd5a150b28d6dc5a0c1648547b4e 100644
--- a/Sample/Particle/MesoCrystal.h
+++ b/Sample/Particle/MesoCrystal.h
@@ -17,7 +17,7 @@
#include "Sample/Particle/IParticle.h"
-class IClusteredParticles;
+class Crystal;
//! A particle with an internal structure of smaller particles.
//! @ingroup samples
@@ -25,7 +25,7 @@ class IClusteredParticles;
class MesoCrystal : public IParticle
{
public:
- MesoCrystal(const IClusteredParticles& particle_structure, const IFormFactor& form_factor);
+ MesoCrystal(const Crystal& particle_structure, const IFormFactor& form_factor);
~MesoCrystal();
MesoCrystal* clone() const override final;
@@ -37,11 +37,11 @@ public:
std::vector<const INode*> getChildren() const override final;
private:
- MesoCrystal(IClusteredParticles* p_particle_structure, IFormFactor* p_form_factor);
+ MesoCrystal(Crystal* p_particle_structure, IFormFactor* p_form_factor);
void initialize();
- std::unique_ptr<IClusteredParticles> m_particle_structure; //!< Crystal structure
- std::unique_ptr<IFormFactor> m_meso_form_factor; //!< Outer shape of this mesocrystal
+ std::unique_ptr<Crystal> m_particle_structure; //!< Crystal structure
+ std::unique_ptr<IFormFactor> m_meso_form_factor; //!< Outer shape of this mesocrystal
};
#endif // BORNAGAIN_SAMPLE_PARTICLE_MESOCRYSTAL_H
diff --git a/Sample/StandardSamples/BoxCompositionBuilder.cpp b/Sample/StandardSamples/BoxCompositionBuilder.cpp
index 11ee1968dddf72133af04a8cb68bd1f9e5440aff..60114f6cd24fd603325bdfc47e51977e2f5b5b4d 100644
--- a/Sample/StandardSamples/BoxCompositionBuilder.cpp
+++ b/Sample/StandardSamples/BoxCompositionBuilder.cpp
@@ -26,10 +26,10 @@ namespace
{
const Material particleMaterial = HomogeneousMaterial("Ag", 1.245e-5, 5.419e-7);
-const double layer_thickness = 100.0 * Units::nanometer;
-const double length = 50.0 * Units::nanometer;
-const double width = 20.0 * Units::nanometer;
-const double height = 10.0 * Units::nanometer;
+const double layer_thickness = 100.0 * Units::nm;
+const double length = 50.0 * Units::nm;
+const double width = 20.0 * Units::nm;
+const double height = 10.0 * Units::nm;
MultiLayer* finalizeMultiLayer(const ParticleComposition& composition)
{
@@ -58,7 +58,7 @@ MultiLayer* BoxCompositionRotateXBuilder::buildSample() const
ParticleComposition composition;
composition.addParticle(box, kvector_t(0.0, 0.0, 0.0));
composition.addParticle(box, kvector_t(length / 2.0, 0.0, 0.0));
- composition.setRotation(RotationX(90.0 * Units::degree));
+ composition.setRotation(RotationX(90.0 * Units::deg));
composition.setPosition(kvector_t(0.0, 0.0, -layer_thickness / 2.0));
return finalizeMultiLayer(composition);
}
@@ -71,7 +71,7 @@ MultiLayer* BoxCompositionRotateYBuilder::buildSample() const
ParticleComposition composition;
composition.addParticle(box, kvector_t(0.0, 0.0, 0.0));
composition.addParticle(box, kvector_t(length / 2.0, 0.0, 0.0));
- composition.setRotation(RotationY(90.0 * Units::degree));
+ composition.setRotation(RotationY(90.0 * Units::deg));
composition.setPosition(kvector_t(0.0, 0.0, -layer_thickness / 2.0 + length / 4.0));
return finalizeMultiLayer(composition);
}
@@ -84,7 +84,7 @@ MultiLayer* BoxCompositionRotateZBuilder::buildSample() const
ParticleComposition composition;
composition.addParticle(box, kvector_t(0.0, 0.0, 0.0));
composition.addParticle(box, kvector_t(length / 2.0, 0.0, 0.0));
- composition.setRotation(RotationZ(90.0 * Units::degree));
+ composition.setRotation(RotationZ(90.0 * Units::deg));
composition.setPosition(kvector_t(0.0, 0.0, -layer_thickness / 2.0 - height / 2.0));
return finalizeMultiLayer(composition);
}
@@ -97,8 +97,8 @@ MultiLayer* BoxCompositionRotateZandYBuilder::buildSample() const
ParticleComposition composition;
composition.addParticle(box, kvector_t(0.0, 0.0, 0.0));
composition.addParticle(box, kvector_t(length / 2.0, 0.0, 0.0));
- composition.setRotation(RotationZ(90.0 * Units::degree));
- composition.rotate(RotationY(90.0 * Units::degree));
+ composition.setRotation(RotationZ(90.0 * Units::deg));
+ composition.rotate(RotationY(90.0 * Units::deg));
composition.setPosition(kvector_t(0.0, 0.0, -layer_thickness / 2.0));
return finalizeMultiLayer(composition);
}
@@ -115,19 +115,19 @@ MultiLayer* BoxStackCompositionBuilder::buildSample() const
const double box1_width = 50;
const double box1_height = 5;
Particle box1(particleMaterial, FormFactorBox(box1_length, box1_width, box1_height));
- box1.setRotation(RotationZ(90. * Units::degree));
+ box1.setRotation(RotationZ(90. * Units::deg));
// box2 (5,20,50), rotatedY
const double box2_length = 5.0;
const double box2_width = 20.0;
const double box2_height = 50.0;
Particle box2(particleMaterial, FormFactorBox(box2_length, box2_width, box2_height));
- box2.setRotation(RotationY(90. * Units::degree));
+ box2.setRotation(RotationY(90. * Units::deg));
box2.setPosition(kvector_t(-box2_height / 2.0, 0.0, box2_length / 2.0));
composition.addParticle(box1, kvector_t(0.0, 0.0, 0.0));
composition.addParticle(box2, kvector_t(0.0, 0.0, box1_height));
- composition.setRotation(RotationY(90.0 * Units::degree));
+ composition.setRotation(RotationY(90.0 * Units::deg));
composition.setPosition(kvector_t(0.0, 0.0, -layer_thickness / 2.));
return finalizeMultiLayer(composition);
diff --git a/Sample/StandardSamples/BoxesSquareLatticeBuilder.cpp b/Sample/StandardSamples/BoxesSquareLatticeBuilder.cpp
index 8934b4b4bf4e64d3dddf38c08dcef84e59823fca..10331c867b06ef015a4824ca2679f0f95f10c6cf 100644
--- a/Sample/StandardSamples/BoxesSquareLatticeBuilder.cpp
+++ b/Sample/StandardSamples/BoxesSquareLatticeBuilder.cpp
@@ -24,17 +24,16 @@
MultiLayer* BoxesSquareLatticeBuilder::buildSample() const
{
- const double length = 5 * Units::nanometer;
- const double height = 10 * Units::nanometer;
+ const double length = 5 * Units::nm;
+ const double height = 10 * Units::nm;
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DLattice> P_interference_function(
- InterferenceFunction2DLattice::createSquare(8 * Units::nanometer, 0));
+ InterferenceFunction2DLattice iff(SquareLattice(8 * Units::nm, 0));
- FTDecayFunction2DCauchy pdf(100.0 * Units::nanometer, 100.0 * Units::nanometer, 0);
- P_interference_function->setDecayFunction(pdf);
+ FTDecayFunction2DCauchy pdf(100.0 * Units::nm, 100.0 * Units::nm, 0);
+ iff.setDecayFunction(pdf);
// particles
ParticleLayout particle_layout;
@@ -42,7 +41,7 @@ MultiLayer* BoxesSquareLatticeBuilder::buildSample() const
Particle particle(refMat::Particle, ff_box);
particle_layout.addParticle(particle, 1.0);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
diff --git a/Sample/StandardSamples/CoreShellParticleBuilder.cpp b/Sample/StandardSamples/CoreShellParticleBuilder.cpp
index 14c19efc13c05c2ab5eec68f1fa9abb49fb8f688..caf4a6e744d152a87ed977067c3f0d8b195c0165 100644
--- a/Sample/StandardSamples/CoreShellParticleBuilder.cpp
+++ b/Sample/StandardSamples/CoreShellParticleBuilder.cpp
@@ -34,10 +34,10 @@ MultiLayer* CoreShellParticleBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
- FormFactorBox ff_box1(16 * Units::nanometer, 16 * Units::nanometer, 8 * Units::nanometer);
+ FormFactorBox ff_box1(16 * Units::nm, 16 * Units::nm, 8 * Units::nm);
Particle shell_particle(shell_material, ff_box1);
- FormFactorBox ff_box2(12 * Units::nanometer, 12 * Units::nanometer, 7 * Units::nanometer);
+ FormFactorBox ff_box2(12 * Units::nm, 12 * Units::nm, 7 * Units::nm);
Particle core_particle(core_material, ff_box2);
kvector_t core_position(0.0, 0.0, 0.0);
@@ -55,12 +55,12 @@ MultiLayer* CoreShellParticleBuilder::buildSample() const
MultiLayer* CoreShellBoxRotateZandYBuilder::buildSample() const
{
- const double layer_thickness(100.0 * Units::nanometer);
+ const double layer_thickness(100.0 * Units::nm);
// core shell particle
- const double shell_length(50.0 * Units::nanometer);
- const double shell_width(20.0 * Units::nanometer);
- const double shell_height(10.0 * Units::nanometer);
+ const double shell_length(50.0 * Units::nm);
+ const double shell_width(20.0 * Units::nm);
+ const double shell_height(10.0 * Units::nm);
double core_length = shell_length / 2.0;
double core_width = shell_width / 2.0;
double core_height = shell_height / 2.0;
@@ -69,8 +69,8 @@ MultiLayer* CoreShellBoxRotateZandYBuilder::buildSample() const
Particle shell(refMat::AgO2, FormFactorBox(shell_length, shell_width, shell_height));
ParticleCoreShell coreshell(shell, core,
kvector_t(0.0, 0.0, (shell_height - core_height) / 2.0));
- coreshell.setRotation(RotationZ(90.0 * Units::degree));
- coreshell.rotate(RotationY(90.0 * Units::degree));
+ coreshell.setRotation(RotationZ(90.0 * Units::deg));
+ coreshell.rotate(RotationY(90.0 * Units::deg));
coreshell.setPosition(kvector_t(0.0, 0.0, -layer_thickness / 2.0));
ParticleLayout layout;
diff --git a/Sample/StandardSamples/CustomMorphologyBuilder.cpp b/Sample/StandardSamples/CustomMorphologyBuilder.cpp
index 87a9a09eb9d400db41f1c3b4afca9799117ab352..155f1365fc0ae2bbd2c4b9ca59a4277a33f0b505 100644
--- a/Sample/StandardSamples/CustomMorphologyBuilder.cpp
+++ b/Sample/StandardSamples/CustomMorphologyBuilder.cpp
@@ -28,71 +28,71 @@ MultiLayer* CustomMorphologyBuilder::buildSample() const
ParticleLayout particle_layout;
// add particle number 1:
- FormFactorBox ff1(2.0 * Units::nanometer, 2.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos1(0.0 * Units::nanometer, 0.0 * Units::nanometer, 0.0);
+ FormFactorBox ff1(2.0 * Units::nm, 2.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos1(0.0 * Units::nm, 0.0 * Units::nm, 0.0);
Particle p1(refMat::Particle, ff1);
p1.setPosition(pos1);
particle_layout.addParticle(p1, 0.5);
// add particle number 2:
- FormFactorBox ff2(2.0 * Units::nanometer, 4.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos2(5.0 * Units::nanometer, 5.0 * Units::nanometer, 0.0);
- RotationZ m2(10 * Units::degree);
+ FormFactorBox ff2(2.0 * Units::nm, 4.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos2(5.0 * Units::nm, 5.0 * Units::nm, 0.0);
+ RotationZ m2(10 * Units::deg);
Particle p2(refMat::Particle, ff2, m2);
p2.setPosition(pos2);
particle_layout.addParticle(p2, 0.5);
// add particle number 3:
- FormFactorBox ff3(2.0 * Units::nanometer, 6.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos3(-5.0 * Units::nanometer, -5.0 * Units::nanometer, 0.0);
- RotationZ m3(20 * Units::degree);
+ FormFactorBox ff3(2.0 * Units::nm, 6.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos3(-5.0 * Units::nm, -5.0 * Units::nm, 0.0);
+ RotationZ m3(20 * Units::deg);
Particle p3(refMat::Particle, ff3, m3);
p3.setPosition(pos3);
particle_layout.addParticle(p3, 0.5);
// add particle number 4:
- FormFactorBox ff4(2.0 * Units::nanometer, 8.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos4(5.0 * Units::nanometer, -5.0 * Units::nanometer, 0.0);
- RotationZ m4(30 * Units::degree);
+ FormFactorBox ff4(2.0 * Units::nm, 8.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos4(5.0 * Units::nm, -5.0 * Units::nm, 0.0);
+ RotationZ m4(30 * Units::deg);
Particle p4(refMat::Particle, ff4, m4);
p4.setPosition(pos4);
particle_layout.addParticle(p4, 0.5);
// add particle number 5:
- FormFactorBox ff5(2.0 * Units::nanometer, 10.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos5(-5.0 * Units::nanometer, 5.0 * Units::nanometer, 0.0);
- RotationZ m5(40 * Units::degree);
+ FormFactorBox ff5(2.0 * Units::nm, 10.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos5(-5.0 * Units::nm, 5.0 * Units::nm, 0.0);
+ RotationZ m5(40 * Units::deg);
Particle p5(refMat::Particle, ff5, m5);
p5.setPosition(pos5);
particle_layout.addParticle(p5, 0.5);
// add particle number 6:
- FormFactorBox ff6(2.0 * Units::nanometer, 2.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos6(0.0 * Units::nanometer, 0.0 * Units::nanometer, 0.0);
- RotationZ m6(50 * Units::degree);
+ FormFactorBox ff6(2.0 * Units::nm, 2.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos6(0.0 * Units::nm, 0.0 * Units::nm, 0.0);
+ RotationZ m6(50 * Units::deg);
Particle p6(refMat::Particle, ff6, m6);
p6.setPosition(pos6);
particle_layout.addParticle(p6, 0.5);
// add particle number 7:
- FormFactorBox ff7(2.0 * Units::nanometer, 4.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos7(5.0 * Units::nanometer, 5.0 * Units::nanometer, 0.0);
- RotationZ m7(60 * Units::degree);
+ FormFactorBox ff7(2.0 * Units::nm, 4.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos7(5.0 * Units::nm, 5.0 * Units::nm, 0.0);
+ RotationZ m7(60 * Units::deg);
Particle p7(refMat::Particle, ff7, m7);
p7.setPosition(pos7);
particle_layout.addParticle(p7, 0.5);
// add particle number 8:
- FormFactorBox ff8(2.0 * Units::nanometer, 6.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos8(-5.0 * Units::nanometer, -5.0 * Units::nanometer, 0.0);
- RotationZ m8(70 * Units::degree);
+ FormFactorBox ff8(2.0 * Units::nm, 6.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos8(-5.0 * Units::nm, -5.0 * Units::nm, 0.0);
+ RotationZ m8(70 * Units::deg);
Particle p8(refMat::Particle, ff8, m8);
p8.setPosition(pos8);
particle_layout.addParticle(p8, 0.5);
// add particle number 9:
- FormFactorBox ff9(2.0 * Units::nanometer, 8.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos9(5.0 * Units::nanometer, -5.0 * Units::nanometer, 0.0);
- RotationZ m9(80 * Units::degree);
+ FormFactorBox ff9(2.0 * Units::nm, 8.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos9(5.0 * Units::nm, -5.0 * Units::nm, 0.0);
+ RotationZ m9(80 * Units::deg);
Particle p9(refMat::Particle, ff9, m9);
p9.setPosition(pos9);
particle_layout.addParticle(p9, 0.5);
// add particle number 10:
- FormFactorBox ff10(2.0 * Units::nanometer, 10.0 * Units::nanometer, 1.0 * Units::nanometer);
- kvector_t pos10(-5.0 * Units::nanometer, 5.0 * Units::nanometer, 0.0);
- RotationZ m10(90 * Units::degree);
+ FormFactorBox ff10(2.0 * Units::nm, 10.0 * Units::nm, 1.0 * Units::nm);
+ kvector_t pos10(-5.0 * Units::nm, 5.0 * Units::nm, 0.0);
+ RotationZ m10(90 * Units::deg);
Particle p10(refMat::Particle, ff10, m10);
p10.setPosition(pos10);
particle_layout.addParticle(p10, 0.5);
diff --git a/Sample/StandardSamples/CylindersBuilder.cpp b/Sample/StandardSamples/CylindersBuilder.cpp
index 034d965458885668e83027e09bcbb6093f1a0abd..505a776f7eabe142bb163f15f71afd2137f57844 100644
--- a/Sample/StandardSamples/CylindersBuilder.cpp
+++ b/Sample/StandardSamples/CylindersBuilder.cpp
@@ -25,8 +25,7 @@
// -----------------------------------------------------------------------------
// Cylinders in DWBA
// -----------------------------------------------------------------------------
-CylindersInDWBABuilder::CylindersInDWBABuilder()
- : m_height(5 * Units::nanometer), m_radius(5 * Units::nanometer)
+CylindersInDWBABuilder::CylindersInDWBABuilder() : m_height(5 * Units::nm), m_radius(5 * Units::nm)
{
}
@@ -51,8 +50,7 @@ MultiLayer* CylindersInDWBABuilder::buildSample() const
// -----------------------------------------------------------------------------
// Cylinders in BA
// -----------------------------------------------------------------------------
-CylindersInBABuilder::CylindersInBABuilder()
- : m_height(5 * Units::nanometer), m_radius(5 * Units::nanometer)
+CylindersInBABuilder::CylindersInBABuilder() : m_height(5 * Units::nm), m_radius(5 * Units::nm)
{
registerParameter("height", &m_height);
registerParameter("radius", &m_radius);
@@ -78,7 +76,7 @@ MultiLayer* CylindersInBABuilder::buildSample() const
// Large cylinders in DWBA
// -----------------------------------------------------------------------------
LargeCylindersInDWBABuilder::LargeCylindersInDWBABuilder()
- : m_height(1000 * Units::nanometer), m_radius(500 * Units::nanometer)
+ : m_height(1000 * Units::nm), m_radius(500 * Units::nm)
{
}
@@ -104,7 +102,7 @@ MultiLayer* LargeCylindersInDWBABuilder::buildSample() const
// Rotated cylinders in DWBA
// -----------------------------------------------------------------------------
RotatedCylindersBuilder::RotatedCylindersBuilder()
- : m_height(5 * Units::nanometer), m_radius(5 * Units::nanometer)
+ : m_height(5 * Units::nm), m_radius(5 * Units::nm)
{
}
diff --git a/Sample/StandardSamples/FeNiBilayerBuilder.cpp b/Sample/StandardSamples/FeNiBilayerBuilder.cpp
index 753d99dd1ad97e00d5fc5d174a2145f76c018f9e..474f116196e41ada42114808ccf2ce0984138723 100644
--- a/Sample/StandardSamples/FeNiBilayerBuilder.cpp
+++ b/Sample/StandardSamples/FeNiBilayerBuilder.cpp
@@ -185,14 +185,14 @@ MultiLayer* FeNiBilayerNCBuilder::buildSample() const
MultiLayer* FeNiBilayerSpinFlipBuilder::buildSample() const
{
- auto sample = FeNiBilayer{Options().angle(38. * Units::degree)};
+ auto sample = FeNiBilayer{Options().angle(38. * Units::deg)};
return sample.release();
}
MultiLayer* FeNiBilayerSpinFlipTanhBuilder::buildSample() const
{
auto sample = FeNiBilayer{Options()
- .angle(38 * Units::degree)
+ .angle(38 * Units::deg)
.sigmaRoughness(2. * Units::angstrom)
.roughnessModel(RoughnessModel::TANH)};
return sample.release();
@@ -201,7 +201,7 @@ MultiLayer* FeNiBilayerSpinFlipTanhBuilder::buildSample() const
MultiLayer* FeNiBilayerSpinFlipNCBuilder::buildSample() const
{
auto sample = FeNiBilayer{Options()
- .angle(38 * Units::degree)
+ .angle(38 * Units::deg)
.sigmaRoughness(2. * Units::angstrom)
.roughnessModel(RoughnessModel::NEVOT_CROCE)};
return sample.release();
diff --git a/Sample/StandardSamples/LatticeBuilder.cpp b/Sample/StandardSamples/LatticeBuilder.cpp
index ac337f2da7b81dad50024e33b651f3e222990493..ff0eae3436ee742b32028eea57a289b6c3c98eab 100644
--- a/Sample/StandardSamples/LatticeBuilder.cpp
+++ b/Sample/StandardSamples/LatticeBuilder.cpp
@@ -26,11 +26,11 @@
MultiLayer* Lattice1DBuilder::buildSample() const
{
- const double length(20.0 * Units::nanometer);
+ const double length(20.0 * Units::nm);
const double xi(10.0 * Units::deg);
- const double corr_length(1000.0 * Units::nanometer);
- const double cylinder_height(5 * Units::nanometer);
- const double cylinder_radius(5 * Units::nanometer);
+ const double corr_length(1000.0 * Units::nm);
+ const double cylinder_height(5 * Units::nm);
+ const double cylinder_radius(5 * Units::nm);
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
diff --git a/Sample/StandardSamples/LayersWithAbsorptionBuilder.cpp b/Sample/StandardSamples/LayersWithAbsorptionBuilder.cpp
index cce776fcf147a5a9b497f82455c3a09e2240e6bc..1885e852263abf1a3f332593b87a91992f132a9f 100644
--- a/Sample/StandardSamples/LayersWithAbsorptionBuilder.cpp
+++ b/Sample/StandardSamples/LayersWithAbsorptionBuilder.cpp
@@ -31,7 +31,7 @@ static const FormFactorComponents ff_components;
} // namespace
LayersWithAbsorptionBuilder::LayersWithAbsorptionBuilder()
- : m_ff(new FormFactorFullSphere(5.0 * Units::nanometer))
+ : m_ff(new FormFactorFullSphere(5.0 * Units::nm))
{
}
@@ -39,12 +39,12 @@ LayersWithAbsorptionBuilder::~LayersWithAbsorptionBuilder() = default;
MultiLayer* LayersWithAbsorptionBuilder::buildSample() const
{
- const double middle_layer_thickness(60.0 * Units::nanometer);
+ const double middle_layer_thickness(60.0 * Units::nm);
Particle particle(refMat::Ag, *m_ff);
- particle.setRotation(RotationZ(10.0 * Units::degree));
- particle.rotate(RotationY(10.0 * Units::degree));
- particle.rotate(RotationX(10.0 * Units::degree));
+ particle.setRotation(RotationZ(10.0 * Units::deg));
+ particle.rotate(RotationY(10.0 * Units::deg));
+ particle.rotate(RotationX(10.0 * Units::deg));
particle.setPosition(kvector_t(0.0, 0.0, -middle_layer_thickness / 2.0));
ParticleLayout layout;
diff --git a/Sample/StandardSamples/LayersWithAbsorptionBySLDBuilder.cpp b/Sample/StandardSamples/LayersWithAbsorptionBySLDBuilder.cpp
index 9d667bf45de689007573d4977f7c47dce7b798a9..642f7486438af9413f99c698cafe5b80d96d89f3 100644
--- a/Sample/StandardSamples/LayersWithAbsorptionBySLDBuilder.cpp
+++ b/Sample/StandardSamples/LayersWithAbsorptionBySLDBuilder.cpp
@@ -21,7 +21,7 @@
#include "Sample/Multilayer/MultiLayer.h"
#include "Sample/Particle/Particle.h"
-const double middle_layer_thickness(60.0 * Units::nanometer);
+const double middle_layer_thickness(60.0 * Units::nm);
MultiLayer* LayersWithAbsorptionBySLDBuilder::buildSample() const
{
@@ -30,12 +30,12 @@ MultiLayer* LayersWithAbsorptionBySLDBuilder::buildSample() const
Material substrate_mat = MaterialBySLD("Substrate", 2.0728e-06, 2.3747e-11);
Material particle_mat = MaterialBySLD("Ag", 3.4682e-06, 1.0309e-08);
- FormFactorFullSphere ff(5.0 * Units::nanometer);
+ FormFactorFullSphere ff(5.0 * Units::nm);
Particle particle(particle_mat, ff);
- particle.setRotation(RotationZ(10.0 * Units::degree));
- particle.rotate(RotationY(10.0 * Units::degree));
- particle.rotate(RotationX(10.0 * Units::degree));
+ particle.setRotation(RotationZ(10.0 * Units::deg));
+ particle.rotate(RotationY(10.0 * Units::deg));
+ particle.rotate(RotationX(10.0 * Units::deg));
particle.setPosition(kvector_t(0.0, 0.0, -middle_layer_thickness / 2.0));
ParticleLayout layout;
diff --git a/Sample/StandardSamples/MagneticLayersBuilder.cpp b/Sample/StandardSamples/MagneticLayersBuilder.cpp
index ad99ae003d166fbff1171abc79c0604e0bd10f8f..677a4463620a7f0d5c957dacbafb5bc201f00c2b 100644
--- a/Sample/StandardSamples/MagneticLayersBuilder.cpp
+++ b/Sample/StandardSamples/MagneticLayersBuilder.cpp
@@ -26,7 +26,7 @@
namespace
{
-const double sphere_radius = 5 * Units::nanometer;
+const double sphere_radius = 5 * Units::nm;
MultiLayer* parametricBuild(double sigmaRoughness, RoughnessModel roughnessModel)
{
@@ -62,7 +62,7 @@ MultiLayer* MagneticSubstrateZeroFieldBuilder::buildSample() const
Material particle_material = HomogeneousMaterial("MagParticle", 6e-4, 2e-8, particle_field);
ParticleLayout particle_layout;
- kvector_t position(0.0, 0.0, -10.0 * Units::nanometer);
+ kvector_t position(0.0, 0.0, -10.0 * Units::nm);
FormFactorFullSphere ff_sphere(sphere_radius);
Particle particle(particle_material, ff_sphere);
particle_layout.addParticle(particle, 1.0, position);
@@ -164,7 +164,7 @@ MultiLayer* MagneticRotationBuilder::buildSample() const
Material particle_material = HomogeneousMaterial("MagParticle", 6e-4, 2e-8, particle_field);
ParticleLayout particle_layout;
- kvector_t position(0.0, 0.0, -10.0 * Units::nanometer);
+ kvector_t position(0.0, 0.0, -10.0 * Units::nm);
FormFactorFullSphere ff_sphere(sphere_radius);
Particle particle(particle_material, ff_sphere);
RotationZ rot_z(90 * Units::deg);
diff --git a/Sample/StandardSamples/MagneticParticlesBuilder.cpp b/Sample/StandardSamples/MagneticParticlesBuilder.cpp
index 8d2387fb7ff25c204e6a441ca767f68390c311ea..d61df724497790a0af6a53b316e9c729ba75bb3b 100644
--- a/Sample/StandardSamples/MagneticParticlesBuilder.cpp
+++ b/Sample/StandardSamples/MagneticParticlesBuilder.cpp
@@ -30,8 +30,8 @@
MultiLayer* MagneticParticleZeroFieldBuilder::buildSample() const
{
- const double m_cylinder_radius(5 * Units::nanometer);
- const double m_cylinder_height(5 * Units::nanometer);
+ const double m_cylinder_radius(5 * Units::nm);
+ const double m_cylinder_height(5 * Units::nm);
Material vacuum_material = HomogeneousMaterial("Vacuum", 0.0, 0.0);
Material substrate_material = HomogeneousMaterial("Substrate", 6e-6, 2e-8);
@@ -60,8 +60,8 @@ MultiLayer* MagneticParticleZeroFieldBuilder::buildSample() const
MultiLayer* MagneticCylindersBuilder::buildSample() const
{
- const double m_cylinder_radius(5 * Units::nanometer);
- const double m_cylinder_height(5 * Units::nanometer);
+ const double m_cylinder_radius(5 * Units::nm);
+ const double m_cylinder_height(5 * Units::nm);
Material vacuum_material = HomogeneousMaterial("Vacuum", 0.0, 0.0);
Material substrate_material = HomogeneousMaterial("Substrate", 15e-6, 0.0);
@@ -90,7 +90,7 @@ MultiLayer* MagneticCylindersBuilder::buildSample() const
MultiLayer* MagneticSpheresBuilder::buildSample() const
{
- const double m_sphere_radius(5 * Units::nanometer);
+ const double m_sphere_radius(5 * Units::nm);
kvector_t magnetization(0.0, 0.0, 1e7);
Material particle_material = HomogeneousMaterial("Particle", 2e-5, 4e-7, magnetization);
diff --git a/Sample/StandardSamples/MesoCrystalBuilder.cpp b/Sample/StandardSamples/MesoCrystalBuilder.cpp
index df097025acd44c0c5a1b6e220677e2a47b9306e8..eeb593dc108a76cb5bb6538f8a6e9fa5d6aec804 100644
--- a/Sample/StandardSamples/MesoCrystalBuilder.cpp
+++ b/Sample/StandardSamples/MesoCrystalBuilder.cpp
@@ -30,7 +30,7 @@ MultiLayer* MesoCrystalBuilder::buildSample() const
kvector_t lattice_basis_a(5.0, 0.0, 0.0);
kvector_t lattice_basis_b(0.0, 5.0, 0.0);
kvector_t lattice_basis_c(0.0, 0.0, 5.0);
- Lattice lattice(lattice_basis_a, lattice_basis_b, lattice_basis_c);
+ Lattice3D lattice(lattice_basis_a, lattice_basis_b, lattice_basis_c);
// spherical particle that forms the base of the mesocrystal
FormFactorFullSphere sphere_ff(2.0);
diff --git a/Sample/StandardSamples/MultiLayerWithRoughnessBuilder.cpp b/Sample/StandardSamples/MultiLayerWithRoughnessBuilder.cpp
index ae885002037dd781a7979c9058c1f3f78c30a7e5..873d5dd4d3cd2faaf3706a9cae8bcc3c593a7ba2 100644
--- a/Sample/StandardSamples/MultiLayerWithRoughnessBuilder.cpp
+++ b/Sample/StandardSamples/MultiLayerWithRoughnessBuilder.cpp
@@ -21,12 +21,12 @@
MultiLayer* MultiLayerWithRoughnessBuilder::buildSample() const
{
- const double thicknessA(2.5 * Units::nanometer);
- const double thicknessB(5.0 * Units::nanometer);
- const double sigma(1.0 * Units::nanometer);
+ const double thicknessA(2.5 * Units::nm);
+ const double thicknessB(5.0 * Units::nm);
+ const double sigma(1.0 * Units::nm);
const double hurst(0.3);
- const double lateralCorrLength(5.0 * Units::nanometer);
- const double crossCorrLength(10.0 * Units::nanometer);
+ const double lateralCorrLength(5.0 * Units::nm);
+ const double crossCorrLength(10.0 * Units::nm);
Material vacuum_material = HomogeneousMaterial("Vacuum", 0., 0.);
Material substrate_material = HomogeneousMaterial("Substrate", 15e-6, 0.0);
diff --git a/Sample/StandardSamples/MultipleLayoutBuilder.cpp b/Sample/StandardSamples/MultipleLayoutBuilder.cpp
index 965c0f7b318d518f2995f58a3eb0acbf31e126fc..e652d16c4acc921b27a35e4de0f3ad783369ff4a 100644
--- a/Sample/StandardSamples/MultipleLayoutBuilder.cpp
+++ b/Sample/StandardSamples/MultipleLayoutBuilder.cpp
@@ -24,10 +24,10 @@
MultiLayer* MultipleLayoutBuilder::buildSample() const
{
- const double cylinder_height(5 * Units::nanometer);
- const double cylinder_radius(5 * Units::nanometer);
- const double prisheight(5 * Units::nanometer);
- const double prislength(10 * Units::nanometer);
+ const double cylinder_height(5 * Units::nm);
+ const double cylinder_radius(5 * Units::nm);
+ const double prisheight(5 * Units::nm);
+ const double prislength(10 * Units::nm);
const double cylinder_weight(0.5);
Layer vacuum_layer(refMat::Vacuum);
diff --git a/Sample/StandardSamples/ParaCrystalBuilder.cpp b/Sample/StandardSamples/ParaCrystalBuilder.cpp
index 207260ce8e4a2b03c2811a27824aaf55d52eff85..f3ce78de17d96fa8708b01acf2d5006431a08370 100644
--- a/Sample/StandardSamples/ParaCrystalBuilder.cpp
+++ b/Sample/StandardSamples/ParaCrystalBuilder.cpp
@@ -27,24 +27,23 @@
MultiLayer* RadialParaCrystalBuilder::buildSample() const
{
- const double m_corr_peak_distance(20.0 * Units::nanometer);
- const double m_corr_width(7 * Units::nanometer);
- const double m_corr_length(1e3 * Units::nanometer);
- const double m_cylinder_height(5 * Units::nanometer);
- const double m_cylinder_radius(5 * Units::nanometer);
+ const double m_corr_peak_distance(20.0 * Units::nm);
+ const double m_corr_width(7 * Units::nm);
+ const double m_corr_length(1e3 * Units::nm);
+ const double m_cylinder_height(5 * Units::nm);
+ const double m_cylinder_radius(5 * Units::nm);
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- InterferenceFunctionRadialParaCrystal interference_function(m_corr_peak_distance,
- m_corr_length);
+ InterferenceFunctionRadialParaCrystal iff(m_corr_peak_distance, m_corr_length);
FTDistribution1DGauss pdf(m_corr_width);
- interference_function.setProbabilityDistribution(pdf);
+ iff.setProbabilityDistribution(pdf);
FormFactorCylinder ff_cylinder(m_cylinder_radius, m_cylinder_height);
Particle particle(refMat::Particle, ff_cylinder);
ParticleLayout particle_layout(particle);
- particle_layout.setInterferenceFunction(interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -59,8 +58,8 @@ MultiLayer* RadialParaCrystalBuilder::buildSample() const
// -----------------------------------------------------------------------------
Basic2DParaCrystalBuilder::Basic2DParaCrystalBuilder()
- : m_pdf1(new FTDistribution2DCauchy(0.1 * Units::nanometer, 0.2 * Units::nanometer, 0))
- , m_pdf2(new FTDistribution2DCauchy(0.3 * Units::nanometer, 0.4 * Units::nanometer, 0))
+ : m_pdf1(new FTDistribution2DCauchy(0.1 * Units::nm, 0.2 * Units::nm, 0))
+ , m_pdf2(new FTDistribution2DCauchy(0.3 * Units::nm, 0.4 * Units::nm, 0))
{
}
@@ -71,19 +70,17 @@ MultiLayer* Basic2DParaCrystalBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- InterferenceFunction2DParaCrystal interference_function(
- 10.0 * Units::nanometer, 20.0 * Units::nanometer, 30.0 * Units::degree,
- 45.0 * Units::degree, 1000.0 * Units::nanometer);
+ InterferenceFunction2DParaCrystal iff(
+ BasicLattice(10.0 * Units::nm, 20.0 * Units::nm, 30.0 * Units::deg, 45.0 * Units::deg),
+ 1000.0 * Units::nm, 20.0 * Units::micrometer, 40.0 * Units::micrometer);
- interference_function.setDomainSizes(20.0 * Units::micrometer, 40.0 * Units::micrometer);
+ iff.setProbabilityDistributions(*m_pdf1, *m_pdf2);
- interference_function.setProbabilityDistributions(*m_pdf1, *m_pdf2);
-
- FormFactorCylinder ff_cylinder(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cylinder(5.0 * Units::nm, 5.0 * Units::nm);
Particle particle(refMat::Particle, ff_cylinder);
ParticleLayout particle_layout(particle);
- particle_layout.setInterferenceFunction(interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -111,27 +108,27 @@ MultiLayer* Basic2DParaCrystalBuilder::createSampleByIndex(size_t index)
MultiLayer* HexParaCrystalBuilder::buildSample() const
{
- const double m_peak_distance(20.0 * Units::nanometer);
+ const double m_peak_distance(20.0 * Units::nm);
const double m_corr_length(0.0);
const double m_domain_size_1(20.0 * Units::micrometer);
const double m_domain_size_2(20.0 * Units::micrometer);
- const double m_cylinder_height(5 * Units::nanometer);
- const double m_cylinder_radius(5 * Units::nanometer);
+ const double m_cylinder_height(5 * Units::nm);
+ const double m_cylinder_radius(5 * Units::nm);
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DParaCrystal> P_interference_function{
- InterferenceFunction2DParaCrystal::createHexagonal(m_peak_distance, m_corr_length,
- m_domain_size_1, m_domain_size_2)};
- FTDistribution2DCauchy pdf(1.0 * Units::nanometer, 1.0 * Units::nanometer, 0);
- P_interference_function->setProbabilityDistributions(pdf, pdf);
+ InterferenceFunction2DParaCrystal iff(HexagonalLattice(m_peak_distance, 0.0), m_corr_length,
+ m_domain_size_1, m_domain_size_2);
+ iff.setIntegrationOverXi(true);
+ FTDistribution2DCauchy pdf(1.0 * Units::nm, 1.0 * Units::nm, 0);
+ iff.setProbabilityDistributions(pdf, pdf);
FormFactorCylinder ff_cylinder(m_cylinder_radius, m_cylinder_height);
Particle cylinder(refMat::Particle, ff_cylinder);
ParticleLayout particle_layout(cylinder);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -150,20 +147,18 @@ MultiLayer* RectParaCrystalBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DParaCrystal> P_interference_function{
- InterferenceFunction2DParaCrystal::createSquare(10 * Units::nanometer, 0 * Units::nanometer,
- 0, 0)};
-
- P_interference_function->setDomainSizes(20.0 * Units::micrometer, 20.0 * Units::micrometer);
- FTDistribution2DCauchy pdf1(0.5 * Units::nanometer, 2.0 * Units::nanometer, 0);
- FTDistribution2DCauchy pdf2(0.5 * Units::nanometer, 2.0 * Units::nanometer, 0);
- P_interference_function->setProbabilityDistributions(pdf1, pdf2);
+ InterferenceFunction2DParaCrystal iff(SquareLattice(10 * Units::nm), 0, 0, 0);
+ iff.setIntegrationOverXi(true);
+ iff.setDomainSizes(20.0 * Units::micrometer, 20.0 * Units::micrometer);
+ FTDistribution2DCauchy pdf1(0.5 * Units::nm, 2.0 * Units::nm, 0);
+ FTDistribution2DCauchy pdf2(0.5 * Units::nm, 2.0 * Units::nm, 0);
+ iff.setProbabilityDistributions(pdf1, pdf2);
- FormFactorCylinder ff_cylinder(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cylinder(5.0 * Units::nm, 5.0 * Units::nm);
Particle particle(refMat::Particle, ff_cylinder);
ParticleLayout particle_layout(particle);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
diff --git a/Sample/StandardSamples/ParticleCompositionBuilder.cpp b/Sample/StandardSamples/ParticleCompositionBuilder.cpp
index f8c8ac262745f8cbfa7f2cbbf7fe26a8389b025e..770fd27422b33c0a1c26a7bb45fa413941acac3b 100644
--- a/Sample/StandardSamples/ParticleCompositionBuilder.cpp
+++ b/Sample/StandardSamples/ParticleCompositionBuilder.cpp
@@ -30,7 +30,7 @@ MultiLayer* ParticleCompositionBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- double radius(10.0 * Units::nanometer);
+ double radius(10.0 * Units::nm);
FormFactorFullSphere sphere_ff(radius);
Particle sphere(refMat::Particle, sphere_ff);
ParticleLayout particle_layout;
@@ -43,12 +43,11 @@ MultiLayer* ParticleCompositionBuilder::buildSample() const
basis.addParticles(sphere, positions);
particle_layout.addParticle(basis);
- std::unique_ptr<InterferenceFunction2DLattice> P_interference{
- InterferenceFunction2DLattice::createHexagonal(radius * 2.0, 0)};
- FTDecayFunction2DCauchy pdf(10 * Units::nanometer, 10 * Units::nanometer, 0);
- P_interference->setDecayFunction(pdf);
+ InterferenceFunction2DLattice iff(HexagonalLattice(radius * 2.0, 0));
+ FTDecayFunction2DCauchy pdf(10 * Units::nm, 10 * Units::nm, 0);
+ iff.setDecayFunction(pdf);
- particle_layout.setInterferenceFunction(*P_interference);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
diff --git a/Sample/StandardSamples/ParticleDistributionsBuilder.cpp b/Sample/StandardSamples/ParticleDistributionsBuilder.cpp
index 99c72d49fba994852f17c7b3fead633d52eed9c5..693bfac3f2f2d1f7c332b44159726472a9fb8b92 100644
--- a/Sample/StandardSamples/ParticleDistributionsBuilder.cpp
+++ b/Sample/StandardSamples/ParticleDistributionsBuilder.cpp
@@ -30,8 +30,8 @@
MultiLayer* CylindersWithSizeDistributionBuilder::buildSample() const
{
- const double height(5 * Units::nanometer);
- const double radius(5 * Units::nanometer);
+ const double height(5 * Units::nm);
+ const double radius(5 * Units::nm);
Layer vacuum_layer(refMat::Vacuum);
@@ -64,10 +64,10 @@ MultiLayer* CylindersWithSizeDistributionBuilder::buildSample() const
// ----------------------------------------------------------------------------
TwoTypesCylindersDistributionBuilder::TwoTypesCylindersDistributionBuilder()
- : m_radius1(5 * Units::nanometer)
- , m_radius2(10 * Units::nanometer)
- , m_height1(5 * Units::nanometer)
- , m_height2(10 * Units::nanometer)
+ : m_radius1(5 * Units::nm)
+ , m_radius2(10 * Units::nm)
+ , m_height1(5 * Units::nm)
+ , m_height2(10 * Units::nm)
, m_sigma1_ratio(0.2)
, m_sigma2_ratio(0.02)
{
@@ -118,10 +118,10 @@ MultiLayer* TwoTypesCylindersDistributionBuilder::buildSample() const
// ----------------------------------------------------------------------------
RotatedPyramidsDistributionBuilder::RotatedPyramidsDistributionBuilder()
- : m_length(10 * Units::nanometer)
- , m_height(5 * Units::nanometer)
+ : m_length(10 * Units::nm)
+ , m_height(5 * Units::nm)
, m_alpha(Units::deg2rad(54.73))
- , m_zangle(45. * Units::degree)
+ , m_zangle(45. * Units::deg)
{
}
diff --git a/Sample/StandardSamples/ParticleInVacuumBuilder.cpp b/Sample/StandardSamples/ParticleInVacuumBuilder.cpp
index 767ed3558454ffd4f526c4638b32c21c8ee4c1ad..e68a58a33181ee569a90f08736a8284bf35fd29c 100644
--- a/Sample/StandardSamples/ParticleInVacuumBuilder.cpp
+++ b/Sample/StandardSamples/ParticleInVacuumBuilder.cpp
@@ -27,8 +27,7 @@ namespace
FormFactorComponents ff_components;
}
-ParticleInVacuumBuilder::ParticleInVacuumBuilder()
- : m_ff(new FormFactorFullSphere(5.0 * Units::nanometer))
+ParticleInVacuumBuilder::ParticleInVacuumBuilder() : m_ff(new FormFactorFullSphere(5.0 * Units::nm))
{
}
diff --git a/Sample/StandardSamples/PercusYevickBuilder.cpp b/Sample/StandardSamples/PercusYevickBuilder.cpp
index ee7d858701ac79e4fbca36d111e6f2552141a012..f489860e8cbd6c411b182655e76cb6e45b7eb39b 100644
--- a/Sample/StandardSamples/PercusYevickBuilder.cpp
+++ b/Sample/StandardSamples/PercusYevickBuilder.cpp
@@ -24,9 +24,9 @@
MultiLayer* HardDiskBuilder::buildSample() const
{
- const double m_cylinder_height(5 * Units::nanometer);
- const double m_cylinder_radius(5 * Units::nanometer);
- const double m_disk_radius(5 * Units::nanometer);
+ const double m_cylinder_height(5 * Units::nm);
+ const double m_cylinder_radius(5 * Units::nm);
+ const double m_disk_radius(5 * Units::nm);
const double m_density(0.006);
Layer vacuum_layer(refMat::Vacuum);
diff --git a/Sample/StandardSamples/RipplesBuilder.cpp b/Sample/StandardSamples/RipplesBuilder.cpp
index 30e4aa415a0c2abafcb8ffc6af2dce93cef503b9..11c9f4809ef1c89bd440a39dd96d5c4853f495bc 100644
--- a/Sample/StandardSamples/RipplesBuilder.cpp
+++ b/Sample/StandardSamples/RipplesBuilder.cpp
@@ -48,7 +48,7 @@ MultiLayer* CosineRippleBuilder::buildSample() const
// ----------------------------------------------------------------------------
-TriangularRippleBuilder::TriangularRippleBuilder() : m_d(0.0 * Units::nanometer)
+TriangularRippleBuilder::TriangularRippleBuilder() : m_d(0.0 * Units::nm)
{
registerParameter("asymmetry", &m_d);
}
diff --git a/Sample/StandardSamples/RotatedPyramidsBuilder.cpp b/Sample/StandardSamples/RotatedPyramidsBuilder.cpp
index e292ff866b510ef06c21b4db7f80f521f9602800..390b3e3026e043db6f5e1629486900608eb1cada 100644
--- a/Sample/StandardSamples/RotatedPyramidsBuilder.cpp
+++ b/Sample/StandardSamples/RotatedPyramidsBuilder.cpp
@@ -23,10 +23,10 @@
MultiLayer* RotatedPyramidsBuilder::buildSample() const
{
- const double m_length(10 * Units::nanometer);
- const double m_height(5 * Units::nanometer);
+ const double m_length(10 * Units::nm);
+ const double m_height(5 * Units::nm);
const double m_alpha(Units::deg2rad(54.73));
- const double m_zangle(45. * Units::degree);
+ const double m_zangle(45. * Units::deg);
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
diff --git a/Sample/StandardSamples/SizeDistributionModelsBuilder.cpp b/Sample/StandardSamples/SizeDistributionModelsBuilder.cpp
index 4eb3c00f635a2edcb4e80d8ef6fc0606a82eb50e..20ada60484aede47072f8c986081d19f8cda0d81 100644
--- a/Sample/StandardSamples/SizeDistributionModelsBuilder.cpp
+++ b/Sample/StandardSamples/SizeDistributionModelsBuilder.cpp
@@ -28,21 +28,20 @@
MultiLayer* SizeDistributionDAModelBuilder::buildSample() const
{
// cylindrical particle 1
- double radius1(5 * Units::nanometer);
+ double radius1(5 * Units::nm);
double height1 = radius1;
FormFactorCylinder cylinder_ff1(radius1, height1);
Particle cylinder1(refMat::Particle, cylinder_ff1);
// cylindrical particle 2
- double radius2(8 * Units::nanometer);
+ double radius2(8 * Units::nm);
double height2(radius2);
FormFactorCylinder cylinder_ff2(radius2, height2);
Particle cylinder2(refMat::Particle, cylinder_ff2);
// interference function
- InterferenceFunctionRadialParaCrystal interference(18.0 * Units::nanometer,
- 1e3 * Units::nanometer);
- FTDistribution1DGauss pdf(3 * Units::nanometer);
+ InterferenceFunctionRadialParaCrystal interference(18.0 * Units::nm, 1e3 * Units::nm);
+ FTDistribution1DGauss pdf(3 * Units::nm);
interference.setProbabilityDistribution(pdf);
// assembling the sample
@@ -66,26 +65,24 @@ MultiLayer* SizeDistributionDAModelBuilder::buildSample() const
MultiLayer* SizeDistributionLMAModelBuilder::buildSample() const
{
// cylindrical particle 1
- double radius1(5 * Units::nanometer);
+ double radius1(5 * Units::nm);
double height1 = radius1;
FormFactorCylinder cylinder_ff1(radius1, height1);
Particle cylinder1(refMat::Particle, cylinder_ff1);
// cylindrical particle 2
- double radius2(8 * Units::nanometer);
+ double radius2(8 * Units::nm);
double height2(radius2);
FormFactorCylinder cylinder_ff2(radius2, height2);
Particle cylinder2(refMat::Particle, cylinder_ff2);
// interference function1
- InterferenceFunctionRadialParaCrystal interference1(16.8 * Units::nanometer,
- 1e3 * Units::nanometer);
- FTDistribution1DGauss pdf(3 * Units::nanometer);
+ InterferenceFunctionRadialParaCrystal interference1(16.8 * Units::nm, 1e3 * Units::nm);
+ FTDistribution1DGauss pdf(3 * Units::nm);
interference1.setProbabilityDistribution(pdf);
// interference function2
- InterferenceFunctionRadialParaCrystal interference2(22.8 * Units::nanometer,
- 1e3 * Units::nanometer);
+ InterferenceFunctionRadialParaCrystal interference2(22.8 * Units::nm, 1e3 * Units::nm);
interference2.setProbabilityDistribution(pdf);
// assembling the sample
@@ -113,21 +110,20 @@ MultiLayer* SizeDistributionLMAModelBuilder::buildSample() const
MultiLayer* SizeDistributionSSCAModelBuilder::buildSample() const
{
// cylindrical particle 1
- double radius1(5 * Units::nanometer);
+ double radius1(5 * Units::nm);
double height1 = radius1;
FormFactorCylinder cylinder_ff1(radius1, height1);
Particle cylinder1(refMat::Particle, cylinder_ff1);
// cylindrical particle 2
- double radius2(8 * Units::nanometer);
+ double radius2(8 * Units::nm);
double height2(radius2);
FormFactorCylinder cylinder_ff2(radius2, height2);
Particle cylinder2(refMat::Particle, cylinder_ff2);
// interference function
- InterferenceFunctionRadialParaCrystal interference(18.0 * Units::nanometer,
- 1e3 * Units::nanometer);
- FTDistribution1DGauss pdf(3 * Units::nanometer);
+ InterferenceFunctionRadialParaCrystal interference(18.0 * Units::nm, 1e3 * Units::nm);
+ FTDistribution1DGauss pdf(3 * Units::nm);
interference.setProbabilityDistribution(pdf);
interference.setKappa(1.0);
@@ -153,17 +149,16 @@ MultiLayer* CylindersInSSCABuilder::buildSample() const
{
Layer vacuum_layer(refMat::Vacuum);
- InterferenceFunctionRadialParaCrystal interference_function(15.0 * Units::nanometer,
- 1e3 * Units::nanometer);
- FTDistribution1DGauss pdf(5 * Units::nanometer);
+ InterferenceFunctionRadialParaCrystal interference_function(15.0 * Units::nm, 1e3 * Units::nm);
+ FTDistribution1DGauss pdf(5 * Units::nm);
interference_function.setProbabilityDistribution(pdf);
interference_function.setKappa(4.02698);
ParticleLayout particle_layout;
- FormFactorCylinder ff_cylinder(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cylinder(5.0 * Units::nm, 5.0 * Units::nm);
Particle particle_prototype(refMat::Particle, ff_cylinder);
- DistributionGaussian gauss(5.0 * Units::nanometer, 1.25 * Units::nanometer);
+ DistributionGaussian gauss(5.0 * Units::nm, 1.25 * Units::nm);
ParameterPattern pattern_radius;
pattern_radius.add("Particle").add("Cylinder").add("Radius");
ParameterDistribution par_distr(pattern_radius.toStdString(), gauss, 30, 3.0);
diff --git a/Sample/StandardSamples/SlicedCylindersBuilder.cpp b/Sample/StandardSamples/SlicedCylindersBuilder.cpp
index 5feb948d3f1ab597d9d63b6133d00c5a3911c276..d93e693f079026f925eada56085842cf1095b8d7 100644
--- a/Sample/StandardSamples/SlicedCylindersBuilder.cpp
+++ b/Sample/StandardSamples/SlicedCylindersBuilder.cpp
@@ -24,8 +24,8 @@
namespace
{
-const double height(5 * Units::nanometer);
-const double radius(5 * Units::nanometer);
+const double height(5 * Units::nm);
+const double radius(5 * Units::nm);
const double wavelength(0.154); // nm
const int n_slices(3);
diff --git a/Sample/StandardSamples/TransformationsBuilder.cpp b/Sample/StandardSamples/TransformationsBuilder.cpp
index 55e85ef9d988e8cbdd5e1dc628c90e13af18bb71..6bbabc7f9aa5e363a8b5a63309acb14edec0a384 100644
--- a/Sample/StandardSamples/TransformationsBuilder.cpp
+++ b/Sample/StandardSamples/TransformationsBuilder.cpp
@@ -29,8 +29,8 @@ MultiLayer* TransformBoxBuilder::buildSample() const
const double height(10);
Particle box(refMat::Ag, FormFactorBox(length, width, height));
- box.setRotation(RotationZ(90. * Units::degree));
- box.rotate(RotationY(90. * Units::degree));
+ box.setRotation(RotationZ(90. * Units::deg));
+ box.rotate(RotationY(90. * Units::deg));
box.setPosition(kvector_t(0, 0, -layer_thickness / 2.));
ParticleLayout layout;
diff --git a/Sample/StandardSamples/TwoDimLatticeBuilder.cpp b/Sample/StandardSamples/TwoDimLatticeBuilder.cpp
index d2ffcee46552301d92dac8cd8b50086175b133cc..feb9207a5cac884c9fc96e4ee525c116579539a9 100644
--- a/Sample/StandardSamples/TwoDimLatticeBuilder.cpp
+++ b/Sample/StandardSamples/TwoDimLatticeBuilder.cpp
@@ -19,6 +19,7 @@
#include "Sample/Aggregate/InterferenceFunctionFinite2DLattice.h"
#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/HardParticle/FormFactorCylinder.h"
+#include "Sample/Lattice/Lattice2D.h"
#include "Sample/Multilayer/Layer.h"
#include "Sample/Multilayer/MultiLayer.h"
#include "Sample/Particle/Particle.h"
@@ -30,21 +31,19 @@ MultiLayer* Basic2DLatticeBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DLattice> P_interference_function(
- new InterferenceFunction2DLattice(5.0 * Units::nanometer, 10.0 * Units::nanometer,
- 30.0 * Units::deg, 10.0 * Units::deg));
+ InterferenceFunction2DLattice iff(
+ BasicLattice(5.0 * Units::nm, 10.0 * Units::nm, 30.0 * Units::deg, 10.0 * Units::deg));
- FTDecayFunction2DCauchy pdf(300.0 * Units::nanometer / 2.0 / M_PI,
- 100.0 * Units::nanometer / 2.0 / M_PI, 0);
- P_interference_function->setDecayFunction(pdf);
+ FTDecayFunction2DCauchy pdf(300.0 * Units::nm / 2.0 / M_PI, 100.0 * Units::nm / 2.0 / M_PI, 0);
+ iff.setDecayFunction(pdf);
// particles
ParticleLayout particle_layout;
- FormFactorCylinder ff_cyl(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cyl(5.0 * Units::nm, 5.0 * Units::nm);
Particle particle(refMat::Particle, ff_cyl);
particle_layout.addParticle(particle, 1.0);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -62,19 +61,17 @@ MultiLayer* SquareLatticeBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DLattice> P_interference_function{
- InterferenceFunction2DLattice::createSquare(10.0 * Units::nanometer, 0)};
- FTDecayFunction2DCauchy pdf(300.0 * Units::nanometer / 2.0 / M_PI,
- 100.0 * Units::nanometer / 2.0 / M_PI, 0);
- P_interference_function->setDecayFunction(pdf);
+ InterferenceFunction2DLattice iff(SquareLattice(10.0 * Units::nm, 0));
+ FTDecayFunction2DCauchy pdf(300.0 * Units::nm / 2.0 / M_PI, 100.0 * Units::nm / 2.0 / M_PI, 0);
+ iff.setDecayFunction(pdf);
// particles
ParticleLayout particle_layout;
- FormFactorCylinder ff_cyl(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cyl(5.0 * Units::nm, 5.0 * Units::nm);
Particle particle(refMat::Particle, ff_cyl);
particle_layout.addParticle(particle, 1.0);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -92,17 +89,16 @@ MultiLayer* CenteredSquareLatticeBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- InterferenceFunction2DLattice interference_function(10.0 * Units::nanometer,
- 10.0 * Units::nanometer, M_PI / 2.0, 0);
- FTDecayFunction2DCauchy pdf(300.0 * Units::nanometer / 2.0 / M_PI,
- 100.0 * Units::nanometer / 2.0 / M_PI, 0);
+ InterferenceFunction2DLattice interference_function(
+ BasicLattice(10.0 * Units::nm, 10.0 * Units::nm, M_PI / 2.0, 0));
+ FTDecayFunction2DCauchy pdf(300.0 * Units::nm / 2.0 / M_PI, 100.0 * Units::nm / 2.0 / M_PI, 0);
interference_function.setDecayFunction(pdf);
- FormFactorCylinder ff_cyl(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cyl(5.0 * Units::nm, 5.0 * Units::nm);
Particle cylinder(refMat::Particle, ff_cyl);
std::vector<kvector_t> positions;
kvector_t position_1(0.0, 0.0, 0.0);
- kvector_t position_2(5.0 * Units::nanometer, -5.0 * Units::nanometer, 0.0);
+ kvector_t position_2(5.0 * Units::nm, -5.0 * Units::nm, 0.0);
positions.push_back(position_1);
positions.push_back(position_2);
ParticleComposition basis;
@@ -127,20 +123,19 @@ MultiLayer* RotatedSquareLatticeBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DLattice> P_interference_function{
- InterferenceFunction2DLattice::createSquare(10.0 * Units::nanometer, 30.0 * Units::degree)};
- FTDecayFunction2DCauchy pdf(300.0 * Units::nanometer / 2.0 / M_PI,
- 100.0 * Units::nanometer / 2.0 / M_PI, 30.0 * Units::degree);
- P_interference_function->setDecayFunction(pdf);
+ InterferenceFunction2DLattice iff(SquareLattice(10.0 * Units::nm, 30.0 * Units::deg));
+ FTDecayFunction2DCauchy pdf(300.0 * Units::nm / 2.0 / M_PI, 100.0 * Units::nm / 2.0 / M_PI,
+ 30.0 * Units::deg);
+ iff.setDecayFunction(pdf);
ParticleLayout particle_layout;
// particle
- FormFactorCylinder ff_cyl(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cyl(5.0 * Units::nm, 5.0 * Units::nm);
kvector_t position(0.0, 0.0, 0.0);
Particle p(refMat::Particle, ff_cyl);
p.setPosition(position);
particle_layout.addParticle(p);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -158,17 +153,16 @@ MultiLayer* FiniteSquareLatticeBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunctionFinite2DLattice> P_interference_function{
- InterferenceFunctionFinite2DLattice::createSquare(10.0 * Units::nanometer, 0.0, 40, 40)};
- P_interference_function->setPositionVariance(1.0);
+ InterferenceFunctionFinite2DLattice iff(SquareLattice(10.0 * Units::nm, 0.0), 40, 40);
+ iff.setPositionVariance(1.0);
// particles
ParticleLayout particle_layout;
- FormFactorCylinder ff_cyl(5.0 * Units::nanometer, 5.0 * Units::nanometer);
+ FormFactorCylinder ff_cyl(5.0 * Units::nm, 5.0 * Units::nm);
Particle particle(refMat::Particle, ff_cyl);
particle_layout.addParticle(particle, 1.0);
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
vacuum_layer.addLayout(particle_layout);
@@ -186,20 +180,18 @@ MultiLayer* SuperLatticeBuilder::buildSample() const
Layer vacuum_layer(refMat::Vacuum);
Layer substrate_layer(refMat::Substrate);
- std::unique_ptr<InterferenceFunction2DSuperLattice> P_interference_function{
- InterferenceFunction2DSuperLattice::createSquare(200.0 * Units::nanometer, 0.0, 40, 40)};
- std::unique_ptr<InterferenceFunctionFinite2DLattice> P_substructure{
- InterferenceFunctionFinite2DLattice::createSquare(10.0 * Units::nanometer, 0.0, 10, 10)};
- P_interference_function->setSubstructureIFF(*P_substructure);
- P_interference_function->setPositionVariance(1.0);
+ InterferenceFunction2DSuperLattice iff(SquareLattice(200.0 * Units::nm, 0.0), 40, 40);
+ InterferenceFunctionFinite2DLattice substructure(SquareLattice(10.0 * Units::nm, 0.0), 10, 10);
+ iff.setSubstructureIFF(substructure);
+ iff.setPositionVariance(1.0);
// particles
ParticleLayout particle_layout;
- FormFactorCylinder ff_cyl(5.0 * Units::nanometer, 10.0 * Units::nanometer);
+ FormFactorCylinder ff_cyl(5.0 * Units::nm, 10.0 * Units::nm);
Particle particle(refMat::Vacuum, ff_cyl);
- particle_layout.addParticle(particle, 1.0, kvector_t(0.0, 0.0, -10.0 * Units::nanometer));
+ particle_layout.addParticle(particle, 1.0, kvector_t(0.0, 0.0, -10.0 * Units::nm));
- particle_layout.setInterferenceFunction(*P_interference_function);
+ particle_layout.setInterferenceFunction(iff);
particle_layout.setTotalParticleSurfaceDensity(100.0 / 4e4);
substrate_layer.addLayout(particle_layout);
diff --git a/Sample/StandardSamples/TwoLayerRoughnessBuilder.cpp b/Sample/StandardSamples/TwoLayerRoughnessBuilder.cpp
index 85cf3acd83fd2dbd036e123f0b70dc25eb0c7332..a3c47d4bb91832f69a6e914cadca6d6ec8234332 100644
--- a/Sample/StandardSamples/TwoLayerRoughnessBuilder.cpp
+++ b/Sample/StandardSamples/TwoLayerRoughnessBuilder.cpp
@@ -21,9 +21,9 @@
MultiLayer* TwoLayerRoughnessBuilder::buildSample() const
{
- const double m_sigma(1.0 * Units::nanometer);
+ const double m_sigma(1.0 * Units::nm);
const double m_hurst(0.3);
- const double m_lateralCorrLength(5.0 * Units::nanometer);
+ const double m_lateralCorrLength(5.0 * Units::nm);
Layer vacuum_layer(refMat::Vacuum, 0);
Layer substrate_layer(refMat::Substrate, 0);
diff --git a/Tests/Functional/Core/Fitting/AdjustMinimizerPlan.cpp b/Tests/Functional/Core/Fitting/AdjustMinimizerPlan.cpp
index ce96edc84fa9e1e72e2c7de37aced328b6e014f1..f427dacd1149e4109262e1479866676a410cbc9c 100644
--- a/Tests/Functional/Core/Fitting/AdjustMinimizerPlan.cpp
+++ b/Tests/Functional/Core/Fitting/AdjustMinimizerPlan.cpp
@@ -20,7 +20,7 @@
namespace
{
-const double nm = Units::nanometer;
+const double nm = Units::nm;
}
using namespace Fit;
diff --git a/Tests/Functional/Core/Fitting/PlanCases.cpp b/Tests/Functional/Core/Fitting/PlanCases.cpp
index 6b524ea4dfe99e499b36a409b200956b7abb2f92..954da961853a1fcff2c48cf7f9f0a90f5fe89c86 100644
--- a/Tests/Functional/Core/Fitting/PlanCases.cpp
+++ b/Tests/Functional/Core/Fitting/PlanCases.cpp
@@ -30,7 +30,7 @@ using namespace Fit;
namespace
{
-const double nm = Units::nanometer;
+const double nm = Units::nm;
}
CylindersInBAPlan::CylindersInBAPlan() : Plan("CylindersInBAPlan")
@@ -81,7 +81,7 @@ std::unique_ptr<ISimulation> RectDetPlan::createSimulation(const Parameters&) co
RectangularDetector detector(20u, width, 18u, height);
detector.setPerpendicularToSampleX(detector_distance, width / 2., 0.0);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
result->setDetector(detector);
result->setRegionOfInterest(5.0, 6.0, 15.0, 12.0);
result->addMask(Rectangle(0.0, 0.0, 2.0, 2.0), true);
diff --git a/Tests/Functional/Python/PyCore/mesocrystal1.py b/Tests/Functional/Python/PyCore/mesocrystal1.py
index b95cc239f04521a3336670cc9ba7e0274f21a5ed..4da5e4201652ef3d6011562ade02dc9f352dddbf 100644
--- a/Tests/Functional/Python/PyCore/mesocrystal1.py
+++ b/Tests/Functional/Python/PyCore/mesocrystal1.py
@@ -44,7 +44,7 @@ class MySampleBuilder(ISampleBuilder):
avg_n_squared_meso = complex(0.7886*n_particle*n_particle + 0.2114)
n_avg = complex(numpy.sqrt(self.surface_filling_ratio.value*avg_n_squared_meso + 1.0 - self.surface_filling_ratio.value))
n_particle_adapted = complex(numpy.sqrt(n_avg*n_avg + n_particle*n_particle - 1.0))
- ff_meso = FormFactorCylinder(self.meso_radius.value, self.meso_height.value)
+ ff = FormFactorCylinder(self.meso_radius.value, self.meso_height.value)
# Create multilayer
p_multi_layer = MultiLayer()
@@ -71,7 +71,7 @@ class MySampleBuilder(ISampleBuilder):
for j in range(0, n_alpha_rotation_steps):
total_transform = RotationZ(phi_start + i*phi_step)
- meso = self.createMesoCrystal(self.lattice_length_a.value, self.lattice_length_c.value, n_particle_adapted, ff_meso)
+ meso = self.createMesoCrystal(self.lattice_length_a.value, self.lattice_length_c.value, n_particle_adapted, ff)
meso.setPosition(0.0, 0.0, -self.meso_height.value)
particle_layout.addParticle(meso, 1.0, kvector_t(0,0,0), total_transform)
@@ -99,8 +99,8 @@ class MySampleBuilder(ISampleBuilder):
bas_a = p_lat.getBasisVectorA()
bas_b = p_lat.getBasisVectorB()
bas_c = p_lat.getBasisVectorC()
- ff_sphere = FormFactorSphereGaussianRadius(self.nanoparticle_radius.value, self.sigma_nanoparticle_radius.value)
- particle = Particle(mParticle, ff_sphere )
+ ff = FormFactorSphereGaussianRadius(self.nanoparticle_radius.value, self.sigma_nanoparticle_radius.value)
+ particle = Particle(mParticle, ff )
position_0 = kvector_t(0.0, 0.0, 0.0)
position_1 = 1.0/3.0*(2.0*bas_a + bas_b + bas_c)
position_2 = 1.0/3.0*(bas_a + 2.0*bas_b + 2.0*bas_c)
@@ -108,9 +108,8 @@ class MySampleBuilder(ISampleBuilder):
basis = ParticleComposition()
basis.addParticles(particle, positions)
- npc = Crystal(basis, p_lat)
position_variance = self.sigma_lattice_length_a.value*self.sigma_lattice_length_a.value/3.0
- npc.setPositionVariance(position_variance)
+ npc = Crystal(basis, p_lat, position_variance)
meso = MesoCrystal(npc, p_meso_form_factor)
return meso
@@ -118,11 +117,9 @@ class MySampleBuilder(ISampleBuilder):
# create lattice
# -------------------------------------------------------------------------
def createLattice(self, stacking_radius_a, stacking_radius_c):
- lattice = Lattice.createHexagonalLattice(stacking_radius_a*2.0, stacking_radius_c*2.0*2.3)
- p_result = Lattice(lattice)
- selection_rule = SimpleSelectionRule(-1, 1, 1, 3)
- p_result.setSelectionRule( selection_rule )
- return p_result
+ result = createHexagonalLattice(stacking_radius_a*2.0, stacking_radius_c*2.0*2.3)
+ result.setSelectionRule(SimpleSelectionRule(-1, 1, 1, 3))
+ return result
# -----------------------------------------------------------------------------
diff --git a/Tests/Performance/Core/Mesocrystal.cpp b/Tests/Performance/Core/Mesocrystal.cpp
index 17b0b6bb2e1e9a06c330e4cf1e45773eae566c14..4cf83ed8fabb612da93a1f3d2f822eda4139a605 100644
--- a/Tests/Performance/Core/Mesocrystal.cpp
+++ b/Tests/Performance/Core/Mesocrystal.cpp
@@ -18,6 +18,7 @@
#include "Device/Detector/RectangularDetector.h"
#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/HardParticle/FormFactorCylinder.h"
+#include "Sample/Lattice/BakeLattice.h"
#include "Sample/Lattice/ISelectionRule.h"
#include "Sample/Material/MaterialFactoryFuncs.h"
#include "Sample/Multilayer/Layer.h"
@@ -52,9 +53,9 @@ std::unique_ptr<RectangularDetector> create_detector()
return result;
}
-Lattice createLattice(double a, double c)
+Lattice3D createLattice(double a, double c)
{
- Lattice result = Lattice::createHexagonalLattice(a, c);
+ Lattice3D result = bake::createHexagonalLattice(a, c);
result.setSelectionRule(SimpleSelectionRule(-1, 1, 1, 3));
return result;
}
@@ -186,9 +187,8 @@ MesoCrystalPerformanceBuilder::createMeso(Material material, const IFormFactor&
std::vector<kvector_t> pos_vector = {position_0, position_1, position_2};
ParticleComposition basis;
basis.addParticles(particle, pos_vector);
- Crystal npc(basis, lattice);
double position_variance = m_sigma_lattice_length_a * m_sigma_lattice_length_a / 3.0;
- npc.setPositionVariance(position_variance);
+ Crystal npc(basis, lattice, position_variance);
return std::make_unique<MesoCrystal>(npc, form_factor);
}
diff --git a/Tests/Performance/Core/ThreadingComponents.cpp b/Tests/Performance/Core/ThreadingComponents.cpp
index 734957a67ee9fdeba02c7fe8ab23f1d148b072ec..1eb550587e484fa6187dde1f005721547f8366da 100644
--- a/Tests/Performance/Core/ThreadingComponents.cpp
+++ b/Tests/Performance/Core/ThreadingComponents.cpp
@@ -76,7 +76,7 @@ std::unique_ptr<MultiLayer> createSampleSpheresDistribution(int nspheres)
std::unique_ptr<ISimulation> CreateRealisticGISASSimulation()
{
auto result = std::make_unique<GISASSimulation>();
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
// define detector
const int pilatus_npx{981}, pilatus_npy{1043};
@@ -104,9 +104,9 @@ std::unique_ptr<ISimulation> CreateRealisticGISASSimulation()
std::unique_ptr<ISimulation> TestComponents::CreateSimpleGISAS()
{
auto result = std::make_unique<GISASSimulation>();
- result->setDetectorParameters(100, 0.0 * Units::degree, 2.0 * Units::degree, 100,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(100, 0.0 * Units::deg, 2.0 * Units::deg, 100, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
auto sample = std::unique_ptr<MultiLayer>(CylindersInDWBABuilder().buildSample());
result->setSample(*sample);
@@ -146,9 +146,9 @@ std::unique_ptr<ISimulation> TestComponents::CreateGiganticGISAS()
{
const int nbins = 2048;
auto result = std::make_unique<GISASSimulation>();
- result->setDetectorParameters(nbins, -2.0 * Units::degree, 2.0 * Units::degree, nbins,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(nbins, -2.0 * Units::deg, 2.0 * Units::deg, nbins,
+ 0.0 * Units::deg, 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
auto sample = std::unique_ptr<MultiLayer>(CylindersInBABuilder().buildSample());
result->setSample(*sample);
return std::unique_ptr<ISimulation>(result.release());
@@ -162,9 +162,9 @@ std::unique_ptr<ISimulation> TestComponents::CreateWavelengthGISAS()
{
const int nbins = 64;
auto result = std::make_unique<GISASSimulation>();
- result->setDetectorParameters(nbins, -2.0 * Units::degree, 2.0 * Units::degree, nbins,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(nbins, -2.0 * Units::deg, 2.0 * Units::deg, nbins,
+ 0.0 * Units::deg, 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
// create parameter distribution
DistributionLogNormal wavelength_distr(1.0 * Units::angstrom, 0.1);
@@ -184,9 +184,9 @@ std::unique_ptr<ISimulation> TestComponents::CreateWavelengthGISAS()
std::unique_ptr<ISimulation> TestComponents::CreateMCGISAS()
{
auto result = std::make_unique<GISASSimulation>();
- result->setDetectorParameters(100, 0.0 * Units::degree, 2.0 * Units::degree, 100,
- 0.0 * Units::degree, 2.0 * Units::degree);
- result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::degree, 0.0 * Units::degree);
+ result->setDetectorParameters(100, 0.0 * Units::deg, 2.0 * Units::deg, 100, 0.0 * Units::deg,
+ 2.0 * Units::deg);
+ result->setBeamParameters(1.0 * Units::angstrom, 0.2 * Units::deg, 0.0 * Units::deg);
auto sample = createSampleSpheresDistribution(10);
result->setSample(*sample);
diff --git a/Tests/UnitTests/Core/Axes/ConstKBinAxisTest.cpp b/Tests/UnitTests/Core/Axes/ConstKBinAxisTest.cpp
index 39f1f2f06eb83516e5e64e673d1707ab19917413..27565872ba3ce73c1867be2b07a694138b1a6211 100644
--- a/Tests/UnitTests/Core/Axes/ConstKBinAxisTest.cpp
+++ b/Tests/UnitTests/Core/Axes/ConstKBinAxisTest.cpp
@@ -9,8 +9,8 @@ class ConstKBinAxisTest : public ::testing::Test
protected:
ConstKBinAxisTest()
: m_nbins(10)
- , m_start(-5.0 * Units::degree)
- , m_end(5.0 * Units::degree)
+ , m_start(-5.0 * Units::deg)
+ , m_end(5.0 * Units::deg)
, m_axis("name", m_nbins, m_start, m_end)
{
double start_sin = std::sin(m_start);
diff --git a/Tests/UnitTests/Core/Detector/RectangularDetectorTest.cpp b/Tests/UnitTests/Core/Detector/RectangularDetectorTest.cpp
index 9f474af04d898f87850235306d0de8103563e92b..071f362bf8344b8b1ed78bbafa6836795a87f7e5 100644
--- a/Tests/UnitTests/Core/Detector/RectangularDetectorTest.cpp
+++ b/Tests/UnitTests/Core/Detector/RectangularDetectorTest.cpp
@@ -11,8 +11,8 @@ class RectangularDetectorTest : public ::testing::Test
protected:
// double phi(DetectorElement& element, double wavelength);
// double alpha(DetectorElement& element, double wavelength);
- double phi(kvector_t k) { return k.phi() / Units::degree; }
- double alpha(kvector_t k) { return 90.0 - k.theta() / Units::degree; }
+ double phi(kvector_t k) { return k.phi() / Units::deg; }
+ double alpha(kvector_t k) { return 90.0 - k.theta() / Units::deg; }
bool isEqual(const kvector_t lhs, const kvector_t rhs)
{
@@ -80,7 +80,7 @@ TEST_F(RectangularDetectorTest, PerpToSample)
// initializing with the simulation
GISASSimulation simulation;
- simulation.setBeamParameters(1.0, 10.0 * Units::degree, 0.0);
+ simulation.setBeamParameters(1.0, 10.0 * Units::deg, 0.0);
det.init(simulation.instrument().beam());
EXPECT_TRUE(kvector_t(distance, 0, 0) == det.getNormalVector());
EXPECT_TRUE(kvector_t(0.0, -1.0, 0.0) == det.getDirectionVector());
@@ -119,7 +119,7 @@ TEST_F(RectangularDetectorTest, PerpToDirectBeam)
double distance(100.0), u0(20.0), v0(10.0);
// double dx = width / nbinsx;
// double dy = height / nbinsy;
- double alpha_i(10.0 * Units::degree);
+ double alpha_i(10.0 * Units::deg);
RectangularDetector det(nbinsx, width, nbinsy, height);
@@ -162,7 +162,7 @@ TEST_F(RectangularDetectorTest, PerpToReflectedBeam)
double distance(100.0), u0(20.0), v0(10.0);
// double dx = width / nbinsx;
// double dy = height / nbinsy;
- double alpha_i(10.0 * Units::degree);
+ double alpha_i(10.0 * Units::deg);
RectangularDetector det(nbinsx, width, nbinsy, height);
@@ -207,7 +207,7 @@ TEST_F(RectangularDetectorTest, PerpToReflectedBeamDpos)
double distance(100.0), u0(20.0), v0(10.0);
// double dx = width / nbinsx;
// double dy = height / nbinsy;
- double alpha_i(10.0 * Units::degree);
+ double alpha_i(10.0 * Units::deg);
RectangularDetector det(nbinsx, width, nbinsy, height);
@@ -345,12 +345,12 @@ TEST_F(RectangularDetectorTest, AnalyzerProperties)
//{
// auto pixel = element.pixel();
// auto k_f = pixel->getK(0.5, 0.5, wavelength);
-// return k_f.phi() / Units::degree;
+// return k_f.phi() / Units::deg;
//}
// double RectangularDetectorTest::alpha(DetectorElement& element, double wavelength)
//{
// auto pixel = element.pixel();
// auto k_f = pixel->getK(0.5, 0.5, wavelength);
-// return ( M_PI_2 - k_f.theta() ) / Units::degree;
+// return ( M_PI_2 - k_f.theta() ) / Units::deg;
//}
diff --git a/Tests/UnitTests/Core/Fresnel/DepthProbeSimulationTest.cpp b/Tests/UnitTests/Core/Fresnel/DepthProbeSimulationTest.cpp
index d9355d539ecfda6cb65b778bee2263e52aee62eb..5d54b46eaeed3b63f7815bc7dd5259589aa476f6 100644
--- a/Tests/UnitTests/Core/Fresnel/DepthProbeSimulationTest.cpp
+++ b/Tests/UnitTests/Core/Fresnel/DepthProbeSimulationTest.cpp
@@ -30,7 +30,7 @@ DepthProbeSimulationTest::DepthProbeSimulationTest()
Material mat2 = HomogeneousMaterial("substrate", 15e-6, 0.0);
Layer layer0(mat0);
- Layer layer1(mat1, 10 * Units::nanometer);
+ Layer layer1(mat1, 10 * Units::nm);
Layer layer2(mat2);
multilayer.addLayer(layer0);
@@ -41,8 +41,8 @@ DepthProbeSimulationTest::DepthProbeSimulationTest()
std::unique_ptr<DepthProbeSimulation> DepthProbeSimulationTest::defaultSimulation()
{
std::unique_ptr<DepthProbeSimulation> result = std::make_unique<DepthProbeSimulation>();
- result->setBeamParameters(1.0, 10, 0.0 * Units::degree, 2.0 * Units::degree);
- result->setZSpan(12, -30.0 * Units::nanometer, 10.0 * Units::nanometer);
+ result->setBeamParameters(1.0, 10, 0.0 * Units::deg, 2.0 * Units::deg);
+ result->setZSpan(12, -30.0 * Units::nm, 10.0 * Units::nm);
result->setSample(multilayer);
return result;
}
@@ -82,14 +82,14 @@ TEST_F(DepthProbeSimulationTest, CheckAxesOfDefaultSimulation)
const auto alpha_axis = sim->getAlphaAxis();
EXPECT_TRUE(dynamic_cast<const FixedBinAxis*>(alpha_axis));
EXPECT_EQ(alpha_axis->size(), 10u);
- EXPECT_EQ(alpha_axis->lowerBound(), 0.0 * Units::degree);
- EXPECT_EQ(alpha_axis->upperBound(), 2.0 * Units::degree);
+ EXPECT_EQ(alpha_axis->lowerBound(), 0.0 * Units::deg);
+ EXPECT_EQ(alpha_axis->upperBound(), 2.0 * Units::deg);
const auto z_axis = sim->getZAxis();
EXPECT_TRUE(dynamic_cast<const FixedBinAxis*>(z_axis));
EXPECT_EQ(z_axis->size(), 12u);
- EXPECT_EQ(z_axis->lowerBound(), -30.0 * Units::nanometer);
- EXPECT_EQ(z_axis->upperBound(), 10.0 * Units::nanometer);
+ EXPECT_EQ(z_axis->lowerBound(), -30.0 * Units::nm);
+ EXPECT_EQ(z_axis->upperBound(), 10.0 * Units::nm);
const auto sim_clone = sim->clone();
EXPECT_FALSE(alpha_axis == sim_clone->getAlphaAxis());
@@ -101,10 +101,10 @@ TEST_F(DepthProbeSimulationTest, SetBeamParameters)
DepthProbeSimulation sim;
const auto& beam = sim.instrument().beam();
- sim.setBeamParameters(1.0, 10, 1.0 * Units::degree, 10.0 * Units::degree);
+ sim.setBeamParameters(1.0, 10, 1.0 * Units::deg, 10.0 * Units::deg);
EXPECT_EQ(10u, sim.getAlphaAxis()->size());
- EXPECT_EQ(1.0 * Units::degree, sim.getAlphaAxis()->lowerBound());
- EXPECT_EQ(10.0 * Units::degree, sim.getAlphaAxis()->upperBound());
+ EXPECT_EQ(1.0 * Units::deg, sim.getAlphaAxis()->lowerBound());
+ EXPECT_EQ(10.0 * Units::deg, sim.getAlphaAxis()->upperBound());
EXPECT_EQ(1.0, beam.getIntensity());
EXPECT_EQ(1.0, beam.getWavelength());
EXPECT_EQ(0.0, beam.getAlpha());
@@ -121,8 +121,8 @@ TEST_F(DepthProbeSimulationTest, SetBeamParameters)
EXPECT_THROW(sim.setBeamParameters(-1.0, 1, 1.0, 2.0), std::runtime_error);
EXPECT_EQ(10u, sim.getAlphaAxis()->size());
- EXPECT_EQ(1.0 * Units::degree, sim.getAlphaAxis()->lowerBound());
- EXPECT_EQ(10.0 * Units::degree, sim.getAlphaAxis()->upperBound());
+ EXPECT_EQ(1.0 * Units::deg, sim.getAlphaAxis()->lowerBound());
+ EXPECT_EQ(10.0 * Units::deg, sim.getAlphaAxis()->upperBound());
EXPECT_EQ(2.0, beam.getIntensity());
EXPECT_EQ(1.0, beam.getWavelength());
EXPECT_EQ(0.0, beam.getAlpha());
diff --git a/Tests/UnitTests/Core/Fresnel/SpecularMagneticOldTest.cpp b/Tests/UnitTests/Core/Fresnel/SpecularMagneticOldTest.cpp
index 367af8391b7a428374228cab9786d5ca0d5e2a5c..7f855de46457be5214bb69e818f761f4696c1d27 100644
--- a/Tests/UnitTests/Core/Fresnel/SpecularMagneticOldTest.cpp
+++ b/Tests/UnitTests/Core/Fresnel/SpecularMagneticOldTest.cpp
@@ -21,7 +21,7 @@ TEST_F(SpecularMagneticOldTest, initial)
// matrix.execute(mLayer, v, coeff);
Material air = HomogeneousMaterial("Air", 0, 1.0);
- Layer layer0(air, 0 * Units::nanometer);
+ Layer layer0(air, 0 * Units::nm);
mLayer.addLayer(layer0);
SimulationOptions options;
ProcessedSample sample(mLayer, options);
diff --git a/Tests/UnitTests/Core/Fresnel/SpecularMagneticTest.cpp b/Tests/UnitTests/Core/Fresnel/SpecularMagneticTest.cpp
index 76c4ebfe8401599917798eb1f5e6ec047bb3db15..9b0910edd171febe6827dc525467648616b22d9a 100644
--- a/Tests/UnitTests/Core/Fresnel/SpecularMagneticTest.cpp
+++ b/Tests/UnitTests/Core/Fresnel/SpecularMagneticTest.cpp
@@ -85,7 +85,7 @@ std::unique_ptr<ProcessedSample> SpecularMagneticTest::sample_degenerate()
{
MultiLayer mLayer;
Material air = HomogeneousMaterial("Vacuum", 0, 1.0);
- mLayer.addLayer(Layer(air, 0 * Units::nanometer));
+ mLayer.addLayer(Layer(air, 0 * Units::nm));
return std::make_unique<ProcessedSample>(mLayer, SimulationOptions());
}
diff --git a/Tests/UnitTests/Core/Fresnel/SpecularSimulationTest.cpp b/Tests/UnitTests/Core/Fresnel/SpecularSimulationTest.cpp
index 9c54347380bfed24c13165e816c4ab8f7d70b318..4618559dfaf920ae2a5d6de4e4a61089a495298a 100644
--- a/Tests/UnitTests/Core/Fresnel/SpecularSimulationTest.cpp
+++ b/Tests/UnitTests/Core/Fresnel/SpecularSimulationTest.cpp
@@ -33,7 +33,7 @@ SpecularSimulationTest::SpecularSimulationTest()
Material mat2 = HomogeneousMaterial("substrate", 15e-6, 0.0);
Layer layer0(mat0);
- Layer layer1(mat1, 10 * Units::nanometer);
+ Layer layer1(mat1, 10 * Units::nm);
Layer layer2(mat2);
multilayer.addLayer(layer0);
@@ -53,7 +53,7 @@ TEST_F(SpecularSimulationTest, InitialState)
std::unique_ptr<SpecularSimulation> SpecularSimulationTest::defaultSimulation()
{
auto result = std::make_unique<SpecularSimulation>();
- AngularSpecScan scan(1.0, FixedBinAxis("axis", 10, 0.0 * Units::degree, 2.0 * Units::degree));
+ AngularSpecScan scan(1.0, FixedBinAxis("axis", 10, 0.0 * Units::deg, 2.0 * Units::deg));
result->setScan(scan);
result->setSample(multilayer);
return result;
@@ -101,23 +101,23 @@ TEST_F(SpecularSimulationTest, SetAngularScan)
sim.setBeamIntensity(2.0);
EXPECT_EQ(2.0, beam.getIntensity());
- AngularSpecScan scan2(1.0, 10, 1.0 * Units::degree, 10.0 * Units::degree);
+ AngularSpecScan scan2(1.0, 10, 1.0 * Units::deg, 10.0 * Units::deg);
sim.setScan(scan2);
EXPECT_EQ(10u, sim.coordinateAxis()->size());
- EXPECT_EQ(1.0 * Units::degree, sim.coordinateAxis()->lowerBound());
- EXPECT_EQ(10.0 * Units::degree, sim.coordinateAxis()->upperBound());
+ EXPECT_EQ(1.0 * Units::deg, sim.coordinateAxis()->lowerBound());
+ EXPECT_EQ(10.0 * Units::deg, sim.coordinateAxis()->upperBound());
EXPECT_EQ(2.0, beam.getIntensity());
EXPECT_EQ(1.0, beam.getWavelength());
EXPECT_EQ(0.0, beam.getAlpha());
EXPECT_EQ(0.0, beam.getPhi());
checkBeamState(sim);
- AngularSpecScan scan3(1.0, 10, -1.0 * Units::degree, 2.0 * Units::degree);
+ AngularSpecScan scan3(1.0, 10, -1.0 * Units::deg, 2.0 * Units::deg);
EXPECT_THROW(sim.setScan(scan3), std::runtime_error);
EXPECT_EQ(10u, sim.coordinateAxis()->size());
- EXPECT_EQ(1.0 * Units::degree, sim.coordinateAxis()->lowerBound());
- EXPECT_EQ(10.0 * Units::degree, sim.coordinateAxis()->upperBound());
+ EXPECT_EQ(1.0 * Units::deg, sim.coordinateAxis()->lowerBound());
+ EXPECT_EQ(10.0 * Units::deg, sim.coordinateAxis()->upperBound());
EXPECT_EQ(2.0, beam.getIntensity());
EXPECT_EQ(1.0, beam.getWavelength());
EXPECT_EQ(0.0, beam.getAlpha());
@@ -181,10 +181,9 @@ TEST_F(SpecularSimulationTest, ConstructSimulation)
EXPECT_EQ(data->getAllocatedSize(), 10u);
EXPECT_EQ(data->rank(), 1u);
- EXPECT_NEAR(0.1 * Units::degree, sim_result.axis(Axes::Units::RADIANS).front(),
- Units::degree * 1e-11);
- EXPECT_NEAR(1.9 * Units::degree, sim_result.axis(Axes::Units::RADIANS).back(),
- Units::degree * 1e-10);
+ EXPECT_NEAR(0.1 * Units::deg, sim_result.axis(Axes::Units::RADIANS).front(),
+ Units::deg * 1e-11);
+ EXPECT_NEAR(1.9 * Units::deg, sim_result.axis(Axes::Units::RADIANS).back(), Units::deg * 1e-10);
checkBeamState(*sim);
}
diff --git a/Tests/UnitTests/Core/Other/MaterialTest.cpp b/Tests/UnitTests/Core/Other/MaterialTest.cpp
index 6f5794efb075ddd93cc103f063ef8e1b15fe1ec7..79562f2f11e80269ecca5baa7254e49f0673ce6d 100644
--- a/Tests/UnitTests/Core/Other/MaterialTest.cpp
+++ b/Tests/UnitTests/Core/Other/MaterialTest.cpp
@@ -52,7 +52,7 @@ TEST_F(MaterialTest, MaterialTransform)
complex_t material_data = complex_t(1.0, 0.0);
complex_t refIndex = complex_t(1.0 - material_data.real(), material_data.imag());
kvector_t magnetism = kvector_t(1.0, 0.0, 0.0);
- RotationZ transform(90. * Units::degree);
+ RotationZ transform(90. * Units::deg);
kvector_t transformed_mag = transform.transformed(magnetism);
Material material = HomogeneousMaterial("Material", refIndex, magnetism);
diff --git a/Tests/UnitTests/Core/Other/Shape2DTest.cpp b/Tests/UnitTests/Core/Other/Shape2DTest.cpp
index fe6ffafd66e90493574fcd55a8594473c8e0ef48..4840929903a64d3b9d342ea8f2d4db4a3ab017c7 100644
--- a/Tests/UnitTests/Core/Other/Shape2DTest.cpp
+++ b/Tests/UnitTests/Core/Other/Shape2DTest.cpp
@@ -55,7 +55,7 @@ TEST_F(Shape2DTest, Ellipse)
EXPECT_FALSE(ellipse.contains(4.0, -2.0));
EXPECT_TRUE(ellipse.contains(6.0, -2.0));
- Ellipse ellipse2(10.0, 1.0, 8.0, 4.0, 45.0 * Units::degree);
+ Ellipse ellipse2(10.0, 1.0, 8.0, 4.0, 45.0 * Units::deg);
EXPECT_TRUE(ellipse2.contains(10.0, 1.0));
EXPECT_FALSE(ellipse2.contains(15.0, 0.0));
EXPECT_TRUE(ellipse2.contains(7.0, 3.0));
diff --git a/Tests/UnitTests/Core/Sample/CrystalTest.cpp b/Tests/UnitTests/Core/Sample/CrystalTest.cpp
index a89b873f9f4d13370c7fe33b24c25c3bf5b434ae..b51b5850086d87266606bbf6eb974aa653222334 100644
--- a/Tests/UnitTests/Core/Sample/CrystalTest.cpp
+++ b/Tests/UnitTests/Core/Sample/CrystalTest.cpp
@@ -1,4 +1,5 @@
#include "Sample/Particle/Crystal.h"
+#include "Sample/Lattice/BakeLattice.h"
#include "Sample/Particle/ParticleComposition.h"
#include "Tests/GTestWrapper/google_test.h"
@@ -8,7 +9,7 @@ class CrystalTest : public ::testing::Test
TEST_F(CrystalTest, getChildren)
{
- Lattice lattice = Lattice::createHexagonalLattice(1.0, 2.0);
+ Lattice3D lattice = bake::createHexagonalLattice(1.0, 2.0);
ParticleComposition composition;
Crystal crystal(composition, lattice);
diff --git a/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp b/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp
index d2dd1717fb3d96e700654cd1a7dd630dd8a43fef..a08450859dc917f3ba424e79890754d0c6395e23 100644
--- a/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp
+++ b/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp
@@ -119,11 +119,11 @@ TEST_F(FormFactorBasicTest, Box)
EXPECT_EQ(0., particle.bottomZ(RotationZ(.42)));
EXPECT_EQ(height, particle.topZ(RotationZ(.42)));
- EXPECT_EQ(0., particle.bottomZ(RotationZ(17 * Units::degree)));
- EXPECT_EQ(height, particle.topZ(RotationZ(39 * Units::degree)));
+ EXPECT_EQ(0., particle.bottomZ(RotationZ(17 * Units::deg)));
+ EXPECT_EQ(height, particle.topZ(RotationZ(39 * Units::deg)));
- EXPECT_NEAR(-width / 2, particle.bottomZ(RotationX(90 * Units::degree)), 1e-12);
- EXPECT_NEAR(-length / 2, particle.bottomZ(RotationY(90 * Units::degree)), 1e-12);
+ EXPECT_NEAR(-width / 2, particle.bottomZ(RotationX(90 * Units::deg)), 1e-12);
+ EXPECT_NEAR(-length / 2, particle.bottomZ(RotationY(90 * Units::deg)), 1e-12);
test_ff(&particle);
}
@@ -208,18 +208,18 @@ TEST_F(FormFactorBasicTest, Cylinder)
EXPECT_EQ(0., particle.bottomZ(RotationZ(.42)));
EXPECT_EQ(height, particle.topZ(RotationZ(.42)));
- EXPECT_NEAR(-radius, particle.bottomZ(RotationX(90 * Units::degree)), 1e-13);
- EXPECT_NEAR(+radius, particle.topZ(RotationX(90 * Units::degree)), 1e-13);
- EXPECT_NEAR(-radius, particle.bottomZ(RotationY(90 * Units::degree)), 1e-13);
- EXPECT_NEAR(+radius, particle.topZ(RotationY(90 * Units::degree)), 1e-13);
+ EXPECT_NEAR(-radius, particle.bottomZ(RotationX(90 * Units::deg)), 1e-13);
+ EXPECT_NEAR(+radius, particle.topZ(RotationX(90 * Units::deg)), 1e-13);
+ EXPECT_NEAR(-radius, particle.bottomZ(RotationY(90 * Units::deg)), 1e-13);
+ EXPECT_NEAR(+radius, particle.topZ(RotationY(90 * Units::deg)), 1e-13);
- EXPECT_NEAR(-height, particle.bottomZ(RotationY(180 * Units::degree)), 1e-13);
- EXPECT_NEAR(0, particle.topZ(RotationY(180 * Units::degree)), 1e-13);
+ EXPECT_NEAR(-height, particle.bottomZ(RotationY(180 * Units::deg)), 1e-13);
+ EXPECT_NEAR(0, particle.topZ(RotationY(180 * Units::deg)), 1e-13);
for (double gamma : {1.123, -2.34, 7.5, -9.})
// 7.5deg is worst case for 24-vertex circle
EXPECT_NEAR(-radius,
- particle.bottomZ(RotationEuler(0, 90 * Units::degree, gamma * Units::degree)),
+ particle.bottomZ(RotationEuler(0, 90 * Units::deg, gamma * Units::deg)),
3e-2); // TODO decrease epsilon after replacement of vertex-based approximation
test_ff(&particle);
diff --git a/Tests/UnitTests/Core/Sample/LatticeTest.cpp b/Tests/UnitTests/Core/Sample/LatticeTest.cpp
index 4ffd2473a22787d7ca4a5fb63a304ad6efa0fe13..b381662e7c16c27772747cd70337bc31ee183245 100644
--- a/Tests/UnitTests/Core/Sample/LatticeTest.cpp
+++ b/Tests/UnitTests/Core/Sample/LatticeTest.cpp
@@ -1,6 +1,7 @@
-#include "Sample/Lattice/Lattice.h"
#include "Base/Const/MathConstants.h"
#include "Base/Vector/Transform3D.h"
+#include "Sample/Lattice/BakeLattice.h"
+#include "Sample/Lattice/Lattice3D.h"
#include "Tests/GTestWrapper/google_test.h"
class LatticeTest : public ::testing::Test
@@ -12,24 +13,24 @@ TEST_F(LatticeTest, declarationTest)
{
kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
+ Lattice3D l1(a1, a2, a3);
EXPECT_EQ(a1, l1.getBasisVectorA());
EXPECT_EQ(a2, l1.getBasisVectorB());
EXPECT_EQ(a3, l1.getBasisVectorC());
- Lattice l2(l1);
+ Lattice3D l2(l1);
EXPECT_EQ(a1, l2.getBasisVectorA());
EXPECT_EQ(a2, l2.getBasisVectorB());
EXPECT_EQ(a3, l2.getBasisVectorC());
// calls and tests copy constructor
- Lattice l3 = {l2};
+ Lattice3D l3 = {l2};
EXPECT_EQ(a1, l3.getBasisVectorA());
EXPECT_EQ(a2, l3.getBasisVectorB());
EXPECT_EQ(a3, l3.getBasisVectorC());
// calls and tests copy constructor
- Lattice l4 = l3;
+ Lattice3D l4 = l3;
EXPECT_EQ(a1, l4.getBasisVectorA());
EXPECT_EQ(a2, l4.getBasisVectorB());
EXPECT_EQ(a3, l4.getBasisVectorC());
@@ -40,15 +41,15 @@ TEST_F(LatticeTest, volumeTest)
{
kvector_t a1(4, 0, 0), a2(0, 2.1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
- EXPECT_EQ(8.4, l1.volume()); // 8.4 is the expected volume for the given lattice vectors
+ Lattice3D l1(a1, a2, a3);
+ EXPECT_EQ(8.4, l1.unitCellVolume()); // 8.4 is the expected volume for the given lattice vectors
}
// tests whether reciprocal lattice basis vectors have been initialized or not
TEST_F(LatticeTest, reciprocalTest)
{
kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
+ Lattice3D l1(a1, a2, a3);
kvector_t b1, b2, b3, m_ra, m_rb, m_rc;
@@ -71,11 +72,11 @@ TEST_F(LatticeTest, reciprocalTest)
TEST_F(LatticeTest, transformTest)
{
kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
+ Lattice3D l1(a1, a2, a3);
// use rotation by 90 degrees around z axis as a transformation
Transform3D tr = Transform3D::createRotateZ(M_TWOPI / 4);
- Lattice ltr = l1.transformed(tr);
+ Lattice3D ltr = l1.transformed(tr);
// use EXPECT_NEAR as transform (matrix multiplication) uses double value for rotation angle
// e.g. Rotating the vector (1,0,0) by 2*PI about z would give something like (0.99999,0,0)
@@ -88,28 +89,11 @@ TEST_F(LatticeTest, transformTest)
EXPECT_EQ(a3, ltr.getBasisVectorC());
}
-// REAL = real/physical
-// tests the nearest REAL LATTICE point to a given REAL SPACE vector
-TEST_F(LatticeTest, NearestRealLatticeVectorCoordinatesTest)
-{
- kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
-
- // vector_in is in REAL SPACE coordinates
- kvector_t vector_in(3.01, 1.51, 1.49);
-
- // point_expected is in REAL LATTICE coordinates
- ivector_t point_expected(3, 2, 1);
-
- EXPECT_EQ(point_expected, l1.getNearestLatticeVectorCoordinates(vector_in));
-}
-
-// REC. = reciprocal
// tests the nearest REC. LATTICE point to a given REC. SPACE vector
TEST_F(LatticeTest, NearestReciprocalLatticeVectorCoordinatesTest)
{
kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
+ Lattice3D l1(a1, a2, a3);
// vector_in is in REC. SPACE coordinates
kvector_t vector_in(2.8 * M_TWOPI, 0, 0);
@@ -125,7 +109,7 @@ TEST_F(LatticeTest, NearestReciprocalLatticeVectorCoordinatesTest)
TEST_F(LatticeTest, reciprocalLatticeVectorsWithinRadiusTest)
{
kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
+ Lattice3D l1(a1, a2, a3);
kvector_t b1, b2, b3;
l1.getReciprocalLatticeBasis(b1, b2, b3);
@@ -150,7 +134,7 @@ TEST_F(LatticeTest, reciprocalLatticeVectorsWithinRadiusTest)
TEST_F(LatticeTest, FCCLatticeTest)
{
// creates FCC lattice onto a new Lattice instance l1
- Lattice l1 = Lattice::createFCCLattice(1);
+ Lattice3D l1 = bake::createFCCLattice(1);
kvector_t fcc1(0, 0.5, 0.5), fcc2(0.5, 0, 0.5), fcc3(0.5, 0.5, 0);
@@ -162,7 +146,7 @@ TEST_F(LatticeTest, FCCLatticeTest)
// tests hexagonal lattice creation
TEST_F(LatticeTest, HexagonalLatticeTest)
{
- Lattice l1 = Lattice::createHexagonalLattice(1, 4);
+ Lattice3D l1 = bake::createHexagonalLattice(1, 4);
kvector_t tri1(1, 0.0, 0.0);
kvector_t tri2(-1 / 2.0, std::sqrt(3.0) * 1 / 2.0, 0);
@@ -178,7 +162,7 @@ TEST_F(LatticeTest, HexagonalLatticeTest)
TEST_F(LatticeTest, onChangeTest)
{
kvector_t a1(1, 0, 0), a2(0, 1, 0), a3(0, 0, 1);
- Lattice l1(a1, a2, a3);
+ Lattice3D l1(a1, a2, a3);
kvector_t b1, b2, b3, m_ra, m_rb, m_rc;
diff --git a/Tests/UnitTests/Core/Sample/LatticeUtilsTest.cpp b/Tests/UnitTests/Core/Sample/LatticeUtilsTest.cpp
deleted file mode 100644
index 74c4510f8a35d791e574578aeffebcbfc3ff7500..0000000000000000000000000000000000000000
--- a/Tests/UnitTests/Core/Sample/LatticeUtilsTest.cpp
+++ /dev/null
@@ -1,98 +0,0 @@
-#include "Sample/Lattice/LatticeUtils.h"
-#include "Sample/Lattice/ILatticeOrientation.h"
-#include "Tests/GTestWrapper/google_test.h"
-
-class LatticeUtilsTest : public ::testing::Test
-{
-};
-
-// tests the creation of an FCC lattice with the primitive cube aligned along the q-axes
-TEST_F(LatticeUtilsTest, cubeAlignedFCCTest)
-{
- MillerIndexOrientation q_aligned(MillerIndexOrientation::QZ, {0, 0, 1},
- MillerIndexOrientation::QY, {0, 1, 0});
- auto lattice = LatticeUtils::createFCCLattice(2.0, q_aligned);
- auto a1 = lattice.getBasisVectorA();
- auto a2 = lattice.getBasisVectorB();
- auto a3 = lattice.getBasisVectorC();
-
- kvector_t v1{0.0, 1.0, 1.0};
- kvector_t v2{1.0, 0.0, 1.0};
- kvector_t v3{1.0, 1.0, 0.0};
-
- EXPECT_EQ(a1, v1);
- EXPECT_EQ(a2, v2);
- EXPECT_EQ(a3, v3);
-}
-
-// tests the creation of an FCC lattice with the primitive cube aligned along Miller indices
-TEST_F(LatticeUtilsTest, diagonalAlignedFCCTest)
-{
- MillerIndexOrientation diagonal_aligned(MillerIndexOrientation::QZ, {1, 1, 1},
- MillerIndexOrientation::QX, {1, 1, 0});
- auto lattice = LatticeUtils::createFCCLattice(2.0, diagonal_aligned);
- auto a1 = lattice.getBasisVectorA();
- auto a2 = lattice.getBasisVectorB();
- auto a3 = lattice.getBasisVectorC();
-
- EXPECT_NEAR(a1.z(), a2.z(), 1e-10);
- EXPECT_NEAR(a2.z(), a3.z(), 1e-10);
- EXPECT_NEAR(a1.x(), a2.x(), 1e-10);
- EXPECT_NEAR(a1.y(), -a2.y(), 1e-10);
-}
-
-// tests the creation of an HCP lattice with a trivial orientation
-TEST_F(LatticeUtilsTest, trivialAlignedHCPTest)
-{
- MillerIndexOrientation trivial_aligned(MillerIndexOrientation::QZ, {0, 0, 1},
- MillerIndexOrientation::QX, {2, -1, 0});
- auto lattice = LatticeUtils::createHCPLattice(2.0, 4.0, trivial_aligned);
- auto a1 = lattice.getBasisVectorA();
- auto a2 = lattice.getBasisVectorB();
- auto a3 = lattice.getBasisVectorC();
-
- kvector_t v1{2.0, 0.0, 0.0};
- kvector_t v2{-1.0, std::sqrt(3.0), 0.0};
- kvector_t v3{1.0, 1.0 / std::sqrt(3.0), 2.0};
-
- EXPECT_EQ(a1, v1);
- EXPECT_EQ(a2, v2);
- EXPECT_EQ(a3, v3);
-}
-
-// tests the creation of an BCT lattice with the primitive tetragonal aligned along the q-axes
-TEST_F(LatticeUtilsTest, tetraAlignedFCCTest)
-{
- MillerIndexOrientation q_aligned(MillerIndexOrientation::QZ, {0, 0, 1},
- MillerIndexOrientation::QY, {0, 1, 0});
- auto lattice = LatticeUtils::createBCTLattice(2.0, 2.0, q_aligned);
- auto a1 = lattice.getBasisVectorA();
- auto a2 = lattice.getBasisVectorB();
- auto a3 = lattice.getBasisVectorC();
-
- kvector_t v1{2.0, 0.0, 0.0};
- kvector_t v2{0.0, 2.0, 0.0};
- kvector_t v3{1.0, 1.0, 1.0};
-
- EXPECT_EQ(a1, v1);
- EXPECT_EQ(a2, v2);
- EXPECT_EQ(a3, v3);
-}
-
-// tests the creation of an BCT lattice with the primitive tetragonal aligned along Miller indices
-TEST_F(LatticeUtilsTest, diagonalAlignedBCTTest)
-{
- MillerIndexOrientation diagonal_aligned(MillerIndexOrientation::QZ, {1, 1, 1},
- MillerIndexOrientation::QX, {1, 1, 0});
- auto lattice = LatticeUtils::createBCTLattice(2.0, 2.0, diagonal_aligned);
- auto a1 = lattice.getBasisVectorA();
- auto a2 = lattice.getBasisVectorB();
- auto a3 = lattice.getBasisVectorC();
-
- EXPECT_NEAR(a1.z(), a2.z(), 1e-10);
- EXPECT_NEAR(a1.x(), a2.x(), 1e-10);
- EXPECT_NEAR(a1.y(), -a2.y(), 1e-10);
- EXPECT_NEAR(a3.x(), 0.0, 1e-10);
- EXPECT_NEAR(a3.y(), 0.0, 1e-10);
- EXPECT_NEAR(a3.z(), std::sqrt(3.0), 1e-10);
-}
diff --git a/Tests/UnitTests/Core/Sample/LayerTest.cpp b/Tests/UnitTests/Core/Sample/LayerTest.cpp
index 3c56525536897d6d182e849749292bb083ff9e63..fec9a13b3ee69cc7ca6e2fe8a3a3d75d3267781e 100644
--- a/Tests/UnitTests/Core/Sample/LayerTest.cpp
+++ b/Tests/UnitTests/Core/Sample/LayerTest.cpp
@@ -11,7 +11,7 @@ class LayerTest : public ::testing::Test
TEST_F(LayerTest, LayerGetAndSet)
{
Material vacuum = HomogeneousMaterial("Vacuum", 0, 0);
- Layer layer(vacuum, 10 * Units::nanometer);
+ Layer layer(vacuum, 10 * Units::nm);
EXPECT_EQ(vacuum, *layer.material());
EXPECT_EQ(0u, layer.layouts().size());
EXPECT_EQ(10, layer.thickness());
@@ -33,7 +33,7 @@ TEST_F(LayerTest, LayerAndDecoration)
Material vacuum = HomogeneousMaterial("Vacuum", 0, 0);
std::unique_ptr<ParticleLayout> layout1(new ParticleLayout());
- Layer layer(vacuum, 10 * Units::nanometer);
+ Layer layer(vacuum, 10 * Units::nm);
layer.addLayout(*layout1);
EXPECT_EQ(layer.numberOfLayouts(), 1u);
diff --git a/Tests/UnitTests/Core/Sample/MesoCrystalTest.cpp b/Tests/UnitTests/Core/Sample/MesoCrystalTest.cpp
index 9b7489fd79ce9313d690bc73ef617c225fe72284..3b9b73e6329a8a7af06a7a1c96068bf99ed08894 100644
--- a/Tests/UnitTests/Core/Sample/MesoCrystalTest.cpp
+++ b/Tests/UnitTests/Core/Sample/MesoCrystalTest.cpp
@@ -1,5 +1,6 @@
#include "Sample/Particle/MesoCrystal.h"
#include "Sample/HardParticle/FormFactorFullSphere.h"
+#include "Sample/Lattice/BakeLattice.h"
#include "Sample/Particle/Crystal.h"
#include "Sample/Particle/ParticleComposition.h"
#include "Sample/Scattering/Rotations.h"
@@ -11,7 +12,7 @@ class MesoCrystalTest : public ::testing::Test
TEST_F(MesoCrystalTest, getChildren)
{
- Lattice lattice = Lattice::createHexagonalLattice(1.0, 2.0);
+ Lattice3D lattice = bake::createHexagonalLattice(1.0, 2.0);
ParticleComposition composition;
Crystal crystal(composition, lattice);
MesoCrystal meso(crystal, FormFactorFullSphere(1.0));
diff --git a/Tests/UnitTests/Core/Sample/MultiLayerTest.cpp b/Tests/UnitTests/Core/Sample/MultiLayerTest.cpp
index f8459d2e2d16f1b4fadd899890269473f4ee1275..05c71649a231cd9a70fff94cebcba3d7d38e2767 100644
--- a/Tests/UnitTests/Core/Sample/MultiLayerTest.cpp
+++ b/Tests/UnitTests/Core/Sample/MultiLayerTest.cpp
@@ -22,10 +22,10 @@ protected:
, iron(HomogeneousMaterial("iron", 2e-5, 8e-5))
, chromium(HomogeneousMaterial("chromium", 3e-7, 7e-6))
, stone(HomogeneousMaterial("stone", 4e-4, 8e-7))
- , topLayer(air, 0 * Units::nanometer)
- , layer1(iron, 20 * Units::nanometer)
- , layer2(chromium, 40 * Units::nanometer)
- , substrate(stone, 0 * Units::nanometer)
+ , topLayer(air, 0 * Units::nm)
+ , layer1(iron, 20 * Units::nm)
+ , layer2(chromium, 40 * Units::nm)
+ , substrate(stone, 0 * Units::nm)
{
}
void set_four()
@@ -246,10 +246,10 @@ TEST_F(MultiLayerTest, MultiLayerCompositeTest)
Material magMaterial0 = HomogeneousMaterial("MagMat0", 6e-4, 2e-8, magnetic_field);
Material magMaterial1 = HomogeneousMaterial("MagMat1", -5.6, 10, magnetic_field);
- Layer layer1(iron, 10 * Units::nanometer);
- Layer layer2(magMaterial0, 20 * Units::nanometer);
- Layer layer3(magMaterial1, 30 * Units::nanometer);
- Layer layer4(stone, 40 * Units::nanometer);
+ Layer layer1(iron, 10 * Units::nm);
+ Layer layer2(magMaterial0, 20 * Units::nm);
+ Layer layer3(magMaterial1, 30 * Units::nm);
+ Layer layer4(stone, 40 * Units::nm);
mLayer.addLayer(topLayer);
mLayer.addLayer(layer1);
diff --git a/Tests/UnitTests/Core/Sample/ParticleCoreShellTest.cpp b/Tests/UnitTests/Core/Sample/ParticleCoreShellTest.cpp
index e58d4be7aeaf26de7d63d90b49e23c8d32a34908..f337fa2782de15a84c50fe4e184e81583ea0d9ab 100644
--- a/Tests/UnitTests/Core/Sample/ParticleCoreShellTest.cpp
+++ b/Tests/UnitTests/Core/Sample/ParticleCoreShellTest.cpp
@@ -58,7 +58,7 @@ TEST_F(ParticleCoreShellTest, ComplexCoreShellClone)
Particle shell(mShell, FormFactorBox(shell_length, shell_width, shell_height));
kvector_t relative_pos(0, 0, (shell_height - core_height) / 2);
ParticleCoreShell coreshell(shell, core, relative_pos);
- coreshell.setRotation(RotationY(90 * Units::degree));
+ coreshell.setRotation(RotationY(90 * Units::deg));
coreshell.setPosition(kvector_t(0, 0, -10));
ParticleCoreShell* clone = coreshell.clone();
diff --git a/Tests/UnitTests/Core/Sample/ParticleLayoutTest.cpp b/Tests/UnitTests/Core/Sample/ParticleLayoutTest.cpp
index 100bdefa61cf695beaf6a5dd4d90ae96842fe5e9..3206b310b5ad30f1e5a200cc8a1d873ac7a7dddb 100644
--- a/Tests/UnitTests/Core/Sample/ParticleLayoutTest.cpp
+++ b/Tests/UnitTests/Core/Sample/ParticleLayoutTest.cpp
@@ -49,8 +49,8 @@ TEST_F(ParticleLayoutTest, ParticleLayoutAddParticle)
Particle particle3;
Particle particle4;
- RotationZ transform3(45. * Units::degree);
- RotationZ transform4(45. * Units::degree);
+ RotationZ transform3(45. * Units::deg);
+ RotationZ transform4(45. * Units::deg);
particleDecoration.addParticle(particle1);
particleDecoration.addParticle(particle2, 2.2);
@@ -86,8 +86,8 @@ TEST_F(ParticleLayoutTest, ParticleLayoutAbundanceFraction)
Particle particle3;
Particle particle4;
- RotationY transform3(45. * Units::degree);
- RotationZ transform4(45. * Units::degree);
+ RotationY transform3(45. * Units::deg);
+ RotationZ transform4(45. * Units::deg);
particleDecoration.addParticle(particle1);
particleDecoration.addParticle(particle2, 2.0);
@@ -105,8 +105,8 @@ TEST_F(ParticleLayoutTest, ParticleLayoutClone)
Particle particle3;
Particle particle4;
- RotationY transform3(45. * Units::degree);
- RotationZ transform4(45. * Units::degree);
+ RotationY transform3(45. * Units::deg);
+ RotationZ transform4(45. * Units::deg);
particleDecoration.addParticle(particle1);
particleDecoration.addParticle(particle2, 2.0);
diff --git a/Tests/UnitTests/Core/Sample/ParticleTest.cpp b/Tests/UnitTests/Core/Sample/ParticleTest.cpp
index 29ae90dec891888667e0d4f782aaf3f80d3218ba..d64eaff8eca020b48b198037b6f90279ad5004fa 100644
--- a/Tests/UnitTests/Core/Sample/ParticleTest.cpp
+++ b/Tests/UnitTests/Core/Sample/ParticleTest.cpp
@@ -30,7 +30,7 @@ TEST_F(ParticleTest, Constructors)
{
Material mat = HomogeneousMaterial("Vacuum", 0, 0);
FormFactorFullSphere sphere(1.0);
- RotationZ transform(45. * Units::degree);
+ RotationZ transform(45. * Units::deg);
// construction with material
std::unique_ptr<Particle> p1(new Particle(mat));
@@ -54,7 +54,7 @@ TEST_F(ParticleTest, setters)
{
Material mat = HomogeneousMaterial("Vacuum", 0, 0);
FormFactorFullSphere sphere(2.1);
- RotationY transform(45. * Units::degree);
+ RotationY transform(45. * Units::deg);
Particle particle;
Material vacuum = HomogeneousMaterial();
diff --git a/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp b/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp
index 3c4e4d46e5ccfc21c7662a6bde84487860e0e260..cbccf1f51b80183081de02164f0a934b6536e40c 100644
--- a/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp
+++ b/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp
@@ -26,7 +26,7 @@ public:
TEST_F(TestGUICoreObjectCorrespondence, test_AnisoPyramid)
{
AnisoPyramidItem gui_anisopyramid;
- FormFactorAnisoPyramid core_anisopyramid(1.0, 2.0, 0.1, 45.0 * Units::degree);
+ FormFactorAnisoPyramid core_anisopyramid(1.0, 2.0, 0.1, 45.0 * Units::deg);
GUICoreObjectCorrespondence(gui_anisopyramid, core_anisopyramid);
}
@@ -40,21 +40,21 @@ TEST_F(TestGUICoreObjectCorrespondence, test_Box)
TEST_F(TestGUICoreObjectCorrespondence, test_Cone)
{
ConeItem gui_cone;
- FormFactorCone core_cone(1.0, 0.2, 45.0 * Units::degree);
+ FormFactorCone core_cone(1.0, 0.2, 45.0 * Units::deg);
GUICoreObjectCorrespondence(gui_cone, core_cone);
}
TEST_F(TestGUICoreObjectCorrespondence, test_Cone6)
{
Cone6Item gui_cone6;
- FormFactorCone6 core_cone6(1.0, 0.2, 45.0 * Units::degree);
+ FormFactorCone6 core_cone6(1.0, 0.2, 45.0 * Units::deg);
GUICoreObjectCorrespondence(gui_cone6, core_cone6);
}
TEST_F(TestGUICoreObjectCorrespondence, test_Cuboctahedron)
{
CuboctahedronItem gui_cuboctahedron;
- FormFactorCuboctahedron core_cuboctahedron(1.0, 0.4, 1.0, 45.0 * Units::degree);
+ FormFactorCuboctahedron core_cuboctahedron(1.0, 0.4, 1.0, 45.0 * Units::deg);
GUICoreObjectCorrespondence(gui_cuboctahedron, core_cuboctahedron);
}
@@ -131,7 +131,7 @@ TEST_F(TestGUICoreObjectCorrespondence, test_Prism6)
TEST_F(TestGUICoreObjectCorrespondence, test_Pyramid)
{
PyramidItem gui_pyramid;
- FormFactorPyramid core_pyramid(1.0, 0.2, 45.0 * Units::degree);
+ FormFactorPyramid core_pyramid(1.0, 0.2, 45.0 * Units::deg);
GUICoreObjectCorrespondence(gui_pyramid, core_pyramid);
}
@@ -152,7 +152,7 @@ TEST_F(TestGUICoreObjectCorrespondence, test_SawtoothRippleBox)
TEST_F(TestGUICoreObjectCorrespondence, test_Tetrahedron)
{
TetrahedronItem gui_tetrahedron;
- FormFactorTetrahedron core_tetrahedron(1.0, 0.1, 45.0 * Units::degree);
+ FormFactorTetrahedron core_tetrahedron(1.0, 0.1, 45.0 * Units::deg);
GUICoreObjectCorrespondence(gui_tetrahedron, core_tetrahedron);
}
diff --git a/Wrap/swig/libBornAgainSample.i b/Wrap/swig/libBornAgainSample.i
index e78c1ad828040ad7d1818d3ef9c849f08ba6154b..e60916f093b26e4a6e0bbe1626cc5f272acef5d5 100644
--- a/Wrap/swig/libBornAgainSample.i
+++ b/Wrap/swig/libBornAgainSample.i
@@ -54,7 +54,6 @@
#include "Sample/Correlations/FTDecay2D.h"
#include "Sample/Correlations/FTDistributions1D.h"
#include "Sample/Correlations/FTDistributions2D.h"
-#include "Sample/Correlations/ILayout.h"
#include "Sample/Correlations/IPeakShape.h"
#include "Sample/HardParticle/FormFactorAnisoPyramid.h"
#include "Sample/HardParticle/FormFactorBar.h"
@@ -85,11 +84,10 @@
#include "Sample/HardParticle/FormFactorTruncatedSpheroid.h"
#include "Sample/HardParticle/IFormFactorPolyhedron.h"
#include "Sample/HardParticle/IFormFactorPrism.h"
-#include "Sample/Lattice/ILatticeOrientation.h"
#include "Sample/Lattice/ISelectionRule.h"
-#include "Sample/Lattice/Lattice.h"
+#include "Sample/Lattice/Lattice3D.h"
#include "Sample/Lattice/Lattice2D.h"
-#include "Sample/Lattice/LatticeUtils.h"
+#include "Sample/Lattice/BakeLattice.h"
#include "Sample/Material/MaterialFactoryFuncs.h"
#include "Sample/Material/WavevectorInfo.h"
#include "Sample/Multilayer/Layer.h"
@@ -100,7 +98,6 @@
#include "Sample/Particle/FormFactorCrystal.h"
#include "Sample/Particle/FormFactorWeighted.h"
#include "Sample/Particle/IAbstractParticle.h"
-#include "Sample/Particle/IClusteredParticles.h"
#include "Sample/Particle/IParticle.h"
#include "Sample/Particle/MesoCrystal.h"
#include "Sample/Particle/Particle.h"
@@ -162,7 +159,6 @@
%include "Sample/Particle/FormFactorCrystal.h"
%include "Sample/Particle/FormFactorWeighted.h"
%include "Sample/Particle/IAbstractParticle.h"
-%include "Sample/Particle/IClusteredParticles.h"
%include "Sample/Particle/Crystal.h"
%include "Sample/Particle/IParticle.h"
%include "Sample/Particle/MesoCrystal.h"
@@ -177,7 +173,6 @@
%include "Sample/Correlations/FTDistributions2D.h"
%include "Sample/Correlations/FTDecay1D.h"
%include "Sample/Correlations/FTDecay2D.h"
-%include "Sample/Correlations/ILayout.h"
%include "Sample/Correlations/IPeakShape.h"
%include "Sample/Aggregate/IInterferenceFunction.h"
@@ -237,11 +232,10 @@
%include "Sample/SoftParticle/FormFactorSphereGaussianRadius.h"
%include "Sample/SoftParticle/FormFactorSphereLogNormalRadius.h"
-%include "Sample/Lattice/ILatticeOrientation.h"
%include "Sample/Lattice/ISelectionRule.h"
-%include "Sample/Lattice/Lattice.h"
+%include "Sample/Lattice/Lattice3D.h"
%include "Sample/Lattice/Lattice2D.h"
-%include "Sample/Lattice/LatticeUtils.h"
+%include "Sample/Lattice/BakeLattice.h"
%include "Sample/SampleBuilderEngine/ISampleBuilder.h"
%include "Sample/StandardSamples/SampleBuilderFactory.h"
diff --git a/auto/Wrap/doxygenCore.i b/auto/Wrap/doxygenCore.i
index 7cf03ffa4ef5958b3ad0b3d8e94d6503f994aabb..9da439c9a8fe4f88549f41a0e770214ef49840c7 100644
--- a/auto/Wrap/doxygenCore.i
+++ b/auto/Wrap/doxygenCore.i
@@ -1555,7 +1555,7 @@ If particles in the layout crossed the limits of the layer slices, these particl
C++ includes: ProcessedLayout.h
";
-%feature("docstring") ProcessedLayout::ProcessedLayout "ProcessedLayout::ProcessedLayout(const ILayout &layout, const std::vector< Slice > &slices, double z_ref, const IFresnelMap *p_fresnel_map, bool polarized)
+%feature("docstring") ProcessedLayout::ProcessedLayout "ProcessedLayout::ProcessedLayout(const ParticleLayout &layout, const std::vector< Slice > &slices, double z_ref, const IFresnelMap *p_fresnel_map, bool polarized)
";
%feature("docstring") ProcessedLayout::ProcessedLayout "ProcessedLayout::ProcessedLayout(ProcessedLayout &&other)
@@ -1955,7 +1955,10 @@ C++ includes: SampleLabelHandler.h
%feature("docstring") SampleLabelHandler::materialMap "materials_t* SampleLabelHandler::materialMap()
";
-%feature("docstring") SampleLabelHandler::latticeMap "lattices_t* SampleLabelHandler::latticeMap()
+%feature("docstring") SampleLabelHandler::lattice2DMap "lattices2D_t* SampleLabelHandler::lattice2DMap()
+";
+
+%feature("docstring") SampleLabelHandler::lattice3DMap "lattices3D_t* SampleLabelHandler::lattice3DMap()
";
%feature("docstring") SampleLabelHandler::mesocrystalMap "mesocrystals_t* SampleLabelHandler::mesocrystalMap()
@@ -1994,13 +1997,16 @@ C++ includes: SampleLabelHandler.h
%feature("docstring") SampleLabelHandler::labelLayer "std::string SampleLabelHandler::labelLayer(const Layer *sample)
";
-%feature("docstring") SampleLabelHandler::labelLayout "std::string SampleLabelHandler::labelLayout(const ILayout *sample)
+%feature("docstring") SampleLabelHandler::labelLayout "std::string SampleLabelHandler::labelLayout(const ParticleLayout *sample)
";
%feature("docstring") SampleLabelHandler::labelMaterial "std::string SampleLabelHandler::labelMaterial(const Material *sample)
";
-%feature("docstring") SampleLabelHandler::labelLattice "std::string SampleLabelHandler::labelLattice(const Lattice *sample)
+%feature("docstring") SampleLabelHandler::labelLattice2D "std::string SampleLabelHandler::labelLattice2D(const Lattice2D *sample)
+";
+
+%feature("docstring") SampleLabelHandler::labelLattice3D "std::string SampleLabelHandler::labelLattice3D(const Lattice3D *sample)
";
%feature("docstring") SampleLabelHandler::labelMultiLayer "std::string SampleLabelHandler::labelMultiLayer(const MultiLayer *sample)
@@ -2027,13 +2033,16 @@ C++ includes: SampleLabelHandler.h
%feature("docstring") SampleLabelHandler::insertLayer "void SampleLabelHandler::insertLayer(const Layer *sample)
";
-%feature("docstring") SampleLabelHandler::insertLayout "void SampleLabelHandler::insertLayout(const ILayout *sample)
+%feature("docstring") SampleLabelHandler::insertLayout "void SampleLabelHandler::insertLayout(const ParticleLayout *sample)
";
%feature("docstring") SampleLabelHandler::insertMaterial "void SampleLabelHandler::insertMaterial(const Material *sample)
";
-%feature("docstring") SampleLabelHandler::insertLattice "void SampleLabelHandler::insertLattice(const Lattice *sample)
+%feature("docstring") SampleLabelHandler::insertLattice2D "void SampleLabelHandler::insertLattice2D(const Lattice2D *sample)
+";
+
+%feature("docstring") SampleLabelHandler::insertLattice3D "void SampleLabelHandler::insertLattice3D(const Lattice3D *sample)
";
%feature("docstring") SampleLabelHandler::insertMesoCrystal "void SampleLabelHandler::insertMesoCrystal(const MesoCrystal *sample)
diff --git a/auto/Wrap/doxygenParam.i b/auto/Wrap/doxygenParam.i
index 5c19b79f85deca3bf342f56ab56a989e59404719..1ec208aa17de078ba0de5f7e11c2b65bda4f258b 100644
--- a/auto/Wrap/doxygenParam.i
+++ b/auto/Wrap/doxygenParam.i
@@ -733,7 +733,7 @@ C++ includes: INodeVisitor.h
%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const IInterferenceFunction *)
";
-%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const ILayout *)
+%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const ParticleLayout *)
";
%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const INode *)
@@ -820,9 +820,6 @@ C++ includes: INodeVisitor.h
%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const ParticleDistribution *)
";
-%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const ParticleLayout *)
-";
-
%feature("docstring") INodeVisitor::visit "virtual void INodeVisitor::visit(const PoissonNoiseBackground *)
";
diff --git a/auto/Wrap/doxygenSample.i b/auto/Wrap/doxygenSample.i
index bedb5409bc49fa109285d649b9529c9b58781506..02230198739f71a2f7314ef1d951a37698589a29 100644
--- a/auto/Wrap/doxygenSample.i
+++ b/auto/Wrap/doxygenSample.i
@@ -312,12 +312,18 @@ C++ includes: RipplesBuilder.h
// File: classCrystal.xml
%feature("docstring") Crystal "
-A crystal structure with a ParticleComposition as a basis. Used in MesoCrystal, where it is given an outer shape.
+A crystal structure, defined by a Bravais lattice, a basis, and a position variance.
+
+The basis is either a Particle or a ParticleComposition.
+
+Computations are delegated to class FormFactorCrystal.
+
+Used in MesoCrystal, where it is given an outer shape.
C++ includes: Crystal.h
";
-%feature("docstring") Crystal::Crystal "Crystal::Crystal(const IParticle &lattice_basis, const Lattice &lattice)
+%feature("docstring") Crystal::Crystal "Crystal::Crystal(const IParticle &basis, const Lattice3D &lattice, double position_variance=0)
";
%feature("docstring") Crystal::~Crystal "Crystal::~Crystal()
@@ -331,20 +337,13 @@ Returns a clone of this ISample object.
%feature("docstring") Crystal::accept "void Crystal::accept(INodeVisitor *visitor) const override final
";
-%feature("docstring") Crystal::createTotalFormFactor "IFormFactor * Crystal::createTotalFormFactor(const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const override final
-
-Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself
-";
-
-%feature("docstring") Crystal::homogeneousRegions "std::vector< HomogeneousRegion > Crystal::homogeneousRegions() const override final
-
-Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume
+%feature("docstring") Crystal::createTotalFormFactor "IFormFactor * Crystal::createTotalFormFactor(const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const
";
-%feature("docstring") Crystal::transformedLattice "Lattice Crystal::transformedLattice(const IRotation *p_rotation=nullptr) const
+%feature("docstring") Crystal::homogeneousRegions "std::vector< HomogeneousRegion > Crystal::homogeneousRegions() const
";
-%feature("docstring") Crystal::setPositionVariance "void Crystal::setPositionVariance(double position_variance)
+%feature("docstring") Crystal::transformedLattice "Lattice3D Crystal::transformedLattice(const IRotation *p_rotation=nullptr) const
";
%feature("docstring") Crystal::getChildren "std::vector< const INode * > Crystal::getChildren() const override final
@@ -1106,7 +1105,7 @@ The form factor of a MesoCrystal.
C++ includes: FormFactorCrystal.h
";
-%feature("docstring") FormFactorCrystal::FormFactorCrystal "FormFactorCrystal::FormFactorCrystal(const Lattice &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)
+%feature("docstring") FormFactorCrystal::FormFactorCrystal "FormFactorCrystal::FormFactorCrystal(const Lattice3D &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)
";
%feature("docstring") FormFactorCrystal::~FormFactorCrystal "FormFactorCrystal::~FormFactorCrystal() override final
@@ -3032,30 +3031,6 @@ Applies the given rotation to the particle.
";
-// File: classIClusteredParticles.xml
-%feature("docstring") IClusteredParticles "
-
-An ordered assembly of particles. Currently, the only child class is Crystal.
-
-C++ includes: IClusteredParticles.h
-";
-
-%feature("docstring") IClusteredParticles::clone "IClusteredParticles* IClusteredParticles::clone() const override=0
-
-Returns a clone of this ISample object.
-";
-
-%feature("docstring") IClusteredParticles::createTotalFormFactor "virtual IFormFactor* IClusteredParticles::createTotalFormFactor(const IFormFactor &, const IRotation *, const kvector_t &) const =0
-
-Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself
-";
-
-%feature("docstring") IClusteredParticles::homogeneousRegions "virtual std::vector<HomogeneousRegion> IClusteredParticles::homogeneousRegions() const =0
-
-Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume
-";
-
-
// File: classICosineRipple.xml
%feature("docstring") ICosineRipple "
@@ -3639,27 +3614,6 @@ Calculates the intensity for scalar particles/interactions.
";
-// File: classILatticeOrientation.xml
-%feature("docstring") ILatticeOrientation "
-
-Pure virtual base of classes that specify a lattice orientation. Currently only inherited by MillerIndexOrientation.
-
-C++ includes: ILatticeOrientation.h
-";
-
-%feature("docstring") ILatticeOrientation::~ILatticeOrientation "ILatticeOrientation::~ILatticeOrientation()
-";
-
-%feature("docstring") ILatticeOrientation::clone "virtual ILatticeOrientation* ILatticeOrientation::clone() const =0
-";
-
-%feature("docstring") ILatticeOrientation::usePrimitiveLattice "virtual void ILatticeOrientation::usePrimitiveLattice(const Lattice &lattice)=0
-";
-
-%feature("docstring") ILatticeOrientation::transformation "virtual Transform3D ILatticeOrientation::transformation() const =0
-";
-
-
// File: classILayerRTCoefficients.xml
%feature("docstring") ILayerRTCoefficients "
@@ -3720,64 +3674,6 @@ Scalar value getters; these throw errors by default as they should only be used
";
-// File: classILayout.xml
-%feature("docstring") ILayout "
-
-Pure virtual interface class to equip a sample layer with scattering properties. Currently only inherited by ParticleLayout; in the future also by domain structure.
-
-C++ includes: ILayout.h
-";
-
-%feature("docstring") ILayout::ILayout "ILayout::ILayout()
-";
-
-%feature("docstring") ILayout::~ILayout "ILayout::~ILayout()
-";
-
-%feature("docstring") ILayout::clone "virtual ILayout* ILayout::clone() const =0
-
-Returns a clone of this ISample object.
-";
-
-%feature("docstring") ILayout::accept "virtual void ILayout::accept(INodeVisitor *visitor) const =0
-";
-
-%feature("docstring") ILayout::particles "virtual SafePointerVector<IParticle> ILayout::particles() const =0
-
-Returns information on all particles (type and abundance) and generates new particles if an IAbstractParticle denotes a collection
-";
-
-%feature("docstring") ILayout::interferenceFunction "virtual const IInterferenceFunction* ILayout::interferenceFunction() const =0
-
-Returns the interference function.
-";
-
-%feature("docstring") ILayout::getTotalAbundance "virtual double ILayout::getTotalAbundance() const =0
-
-Get total abundance of all particles.
-";
-
-%feature("docstring") ILayout::totalParticleSurfaceDensity "virtual double ILayout::totalParticleSurfaceDensity() const =0
-
-Returns surface density of all particles.
-";
-
-%feature("docstring") ILayout::setTotalParticleSurfaceDensity "virtual void ILayout::setTotalParticleSurfaceDensity(double particle_density)=0
-
-Sets surface density of all particles.
-";
-
-%feature("docstring") ILayout::weight "double ILayout::weight() const
-
-Returns the relative weight of this layout.
-";
-
-%feature("docstring") ILayout::setWeight "void ILayout::setWeight(double weight)
-
-Sets the relative weight of this layout.
-";
-
-
// File: classIntegratorMCMiser.xml
%feature("docstring") IntegratorMCMiser "";
@@ -4118,7 +4014,7 @@ Interference function of a 3D lattice.
C++ includes: InterferenceFunction3DLattice.h
";
-%feature("docstring") InterferenceFunction3DLattice::InterferenceFunction3DLattice "InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice &lattice)
+%feature("docstring") InterferenceFunction3DLattice::InterferenceFunction3DLattice "InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice3D &lattice)
";
%feature("docstring") InterferenceFunction3DLattice::~InterferenceFunction3DLattice "InterferenceFunction3DLattice::~InterferenceFunction3DLattice() final
@@ -4135,7 +4031,7 @@ Returns a clone of this ISample object.
%feature("docstring") InterferenceFunction3DLattice::setPeakShape "void InterferenceFunction3DLattice::setPeakShape(const IPeakShape &peak_shape)
";
-%feature("docstring") InterferenceFunction3DLattice::lattice "const Lattice & InterferenceFunction3DLattice::lattice() const
+%feature("docstring") InterferenceFunction3DLattice::lattice "const Lattice3D & InterferenceFunction3DLattice::lattice() const
";
%feature("docstring") InterferenceFunction3DLattice::supportsMultilayer "bool InterferenceFunction3DLattice::supportsMultilayer() const override final
@@ -4244,7 +4140,7 @@ Interference function of a finite 3D lattice.
C++ includes: InterferenceFunctionFinite3DLattice.h
";
-%feature("docstring") InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice "InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice &lattice, unsigned N_1, unsigned N_2, unsigned N_3)
+%feature("docstring") InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice "InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice3D &lattice, unsigned N_1, unsigned N_2, unsigned N_3)
";
%feature("docstring") InterferenceFunctionFinite3DLattice::~InterferenceFunctionFinite3DLattice "InterferenceFunctionFinite3DLattice::~InterferenceFunctionFinite3DLattice() final
@@ -4267,7 +4163,7 @@ Returns a clone of this ISample object.
%feature("docstring") InterferenceFunctionFinite3DLattice::numberUnitCells3 "unsigned InterferenceFunctionFinite3DLattice::numberUnitCells3() const
";
-%feature("docstring") InterferenceFunctionFinite3DLattice::lattice "const Lattice & InterferenceFunctionFinite3DLattice::lattice() const
+%feature("docstring") InterferenceFunctionFinite3DLattice::lattice "const Lattice3D & InterferenceFunctionFinite3DLattice::lattice() const
";
%feature("docstring") InterferenceFunctionFinite3DLattice::supportsMultilayer "bool InterferenceFunctionFinite3DLattice::supportsMultilayer() const override final
@@ -4880,141 +4776,132 @@ C++ includes: CylindersBuilder.h
";
-// File: classLattice.xml
-%feature("docstring") Lattice "
+// File: classLattice1DBuilder.xml
+%feature("docstring") Lattice1DBuilder "
-A lattice with three basis vectors.
+Builds sample: cylinders with 1DDL structure factor.
-C++ includes: Lattice.h
+C++ includes: LatticeBuilder.h
";
-%feature("docstring") Lattice::Lattice "Lattice::Lattice()
+%feature("docstring") Lattice1DBuilder::buildSample "MultiLayer * Lattice1DBuilder::buildSample() const
";
-%feature("docstring") Lattice::Lattice "Lattice::Lattice(const kvector_t a1, const kvector_t a2, const kvector_t a3)
-";
-%feature("docstring") Lattice::Lattice "Lattice::Lattice(const Lattice &lattice)
-";
+// File: classLattice2D.xml
+%feature("docstring") Lattice2D "";
-%feature("docstring") Lattice::~Lattice "Lattice::~Lattice() override
+%feature("docstring") Lattice2D::Lattice2D "Lattice2D::Lattice2D(const NodeMeta &meta, const std::vector< double > &PValues)
";
-%feature("docstring") Lattice::accept "void Lattice::accept(INodeVisitor *visitor) const override
+%feature("docstring") Lattice2D::Lattice2D "Lattice2D::Lattice2D(double xi)
";
-%feature("docstring") Lattice::transformed "Lattice Lattice::transformed(const Transform3D &transform) const
-
-Creates transformed lattice.
+%feature("docstring") Lattice2D::clone "virtual Lattice2D* Lattice2D::clone() const =0
";
-%feature("docstring") Lattice::initialize "void Lattice::initialize() const
-
-Initializes cached data.
+%feature("docstring") Lattice2D::length1 "virtual double Lattice2D::length1() const =0
";
-%feature("docstring") Lattice::getBasisVectorA "kvector_t Lattice::getBasisVectorA() const
+%feature("docstring") Lattice2D::length2 "virtual double Lattice2D::length2() const =0
+";
-Returns basis vector a.
+%feature("docstring") Lattice2D::latticeAngle "virtual double Lattice2D::latticeAngle() const =0
";
-%feature("docstring") Lattice::getBasisVectorB "kvector_t Lattice::getBasisVectorB() const
+%feature("docstring") Lattice2D::unitCellArea "virtual double Lattice2D::unitCellArea() const =0
+";
-Returns basis vector b.
+%feature("docstring") Lattice2D::rotationAngle "double Lattice2D::rotationAngle() const
";
-%feature("docstring") Lattice::getBasisVectorC "kvector_t Lattice::getBasisVectorC() const
+%feature("docstring") Lattice2D::reciprocalBases "Lattice2D::ReciprocalBases Lattice2D::reciprocalBases() const
+";
-Returns basis vector c.
+%feature("docstring") Lattice2D::setRotationEnabled "void Lattice2D::setRotationEnabled(bool enabled)
";
-%feature("docstring") Lattice::resetBasis "void Lattice::resetBasis(const kvector_t a1, const kvector_t a2, const kvector_t a3)
-Resets the basis vectors.
-";
+// File: classLattice3D.xml
+%feature("docstring") Lattice3D "
-%feature("docstring") Lattice::getMillerDirection "kvector_t Lattice::getMillerDirection(double h, double k, double l) const
+A Bravais lattice, characterized by three basis vectors, and optionally an ISelectionRule.
-Returns normalized direction corresponding to the given Miller indices.
+C++ includes: Lattice3D.h
";
-%feature("docstring") Lattice::volume "double Lattice::volume() const
-
-Returns the volume of the unit cell.
+%feature("docstring") Lattice3D::Lattice3D "Lattice3D::Lattice3D()=delete
";
-%feature("docstring") Lattice::getReciprocalLatticeBasis "void Lattice::getReciprocalLatticeBasis(kvector_t &b1, kvector_t &b2, kvector_t &b3) const
+%feature("docstring") Lattice3D::Lattice3D "Lattice3D::Lattice3D(const kvector_t a, const kvector_t b, const kvector_t c)
+";
-Returns the reciprocal basis vectors.
+%feature("docstring") Lattice3D::Lattice3D "Lattice3D::Lattice3D(const Lattice3D &lattice)
";
-%feature("docstring") Lattice::getNearestLatticeVectorCoordinates "ivector_t Lattice::getNearestLatticeVectorCoordinates(const kvector_t vector_in) const
+%feature("docstring") Lattice3D::~Lattice3D "Lattice3D::~Lattice3D() override
+";
-Returns the nearest lattice point from a given vector.
+%feature("docstring") Lattice3D::accept "void Lattice3D::accept(INodeVisitor *visitor) const override
";
-%feature("docstring") Lattice::getNearestReciprocalLatticeVectorCoordinates "ivector_t Lattice::getNearestReciprocalLatticeVectorCoordinates(const kvector_t vector_in) const
+%feature("docstring") Lattice3D::transformed "Lattice3D Lattice3D::transformed(const Transform3D &transform) const
-Returns the nearest reciprocal lattice point from a given vector.
+Creates transformed lattice.
";
-%feature("docstring") Lattice::reciprocalLatticeVectorsWithinRadius "std::vector< kvector_t > Lattice::reciprocalLatticeVectorsWithinRadius(const kvector_t input_vector, double radius) const
+%feature("docstring") Lattice3D::initialize "void Lattice3D::initialize()
-Computes a list of reciprocal lattice vectors within a specified distance of a given vector.
+Initializes cached data.
";
-%feature("docstring") Lattice::setSelectionRule "void Lattice::setSelectionRule(const ISelectionRule &p_selection_rule)
+%feature("docstring") Lattice3D::getBasisVectorA "kvector_t Lattice3D::getBasisVectorA() const
-Sets a selection rule for the reciprocal vectors.
+Returns basis vector a.
";
-%feature("docstring") Lattice::onChange "void Lattice::onChange() override
+%feature("docstring") Lattice3D::getBasisVectorB "kvector_t Lattice3D::getBasisVectorB() const
+
+Returns basis vector b.
";
+%feature("docstring") Lattice3D::getBasisVectorC "kvector_t Lattice3D::getBasisVectorC() const
-// File: classLattice1DBuilder.xml
-%feature("docstring") Lattice1DBuilder "
+Returns basis vector c.
+";
-Builds sample: cylinders with 1DDL structure factor.
+%feature("docstring") Lattice3D::getMillerDirection "kvector_t Lattice3D::getMillerDirection(double h, double k, double l) const
-C++ includes: LatticeBuilder.h
-";
+Returns normalized direction corresponding to the given Miller indices.
-%feature("docstring") Lattice1DBuilder::buildSample "MultiLayer * Lattice1DBuilder::buildSample() const
+Currently unused but may be useful for checks.
";
+%feature("docstring") Lattice3D::unitCellVolume "double Lattice3D::unitCellVolume() const
-// File: classLattice2D.xml
-%feature("docstring") Lattice2D "";
-
-%feature("docstring") Lattice2D::Lattice2D "Lattice2D::Lattice2D(const NodeMeta &meta, const std::vector< double > &PValues)
+Returns the volume of the unit cell.
";
-%feature("docstring") Lattice2D::Lattice2D "Lattice2D::Lattice2D(double xi)
-";
+%feature("docstring") Lattice3D::getReciprocalLatticeBasis "void Lattice3D::getReciprocalLatticeBasis(kvector_t &ra, kvector_t &rb, kvector_t &rc) const
-%feature("docstring") Lattice2D::clone "virtual Lattice2D* Lattice2D::clone() const =0
-";
+Returns the reciprocal basis vectors.
-%feature("docstring") Lattice2D::length1 "virtual double Lattice2D::length1() const =0
+Currently only used in tests.
";
-%feature("docstring") Lattice2D::length2 "virtual double Lattice2D::length2() const =0
-";
+%feature("docstring") Lattice3D::getNearestReciprocalLatticeVectorCoordinates "ivector_t Lattice3D::getNearestReciprocalLatticeVectorCoordinates(const kvector_t q) const
-%feature("docstring") Lattice2D::latticeAngle "virtual double Lattice2D::latticeAngle() const =0
+Returns the nearest reciprocal lattice point from a given vector.
";
-%feature("docstring") Lattice2D::unitCellArea "virtual double Lattice2D::unitCellArea() const =0
-";
+%feature("docstring") Lattice3D::reciprocalLatticeVectorsWithinRadius "std::vector< kvector_t > Lattice3D::reciprocalLatticeVectorsWithinRadius(const kvector_t q, double dq) const
-%feature("docstring") Lattice2D::rotationAngle "double Lattice2D::rotationAngle() const
+Returns a list of reciprocal lattice vectors within distance dq of a vector q.
";
-%feature("docstring") Lattice2D::reciprocalBases "Lattice2D::ReciprocalBases Lattice2D::reciprocalBases() const
-";
+%feature("docstring") Lattice3D::setSelectionRule "void Lattice3D::setSelectionRule(const ISelectionRule &selection_rule)
-%feature("docstring") Lattice2D::setRotationEnabled "void Lattice2D::setRotationEnabled(bool enabled)
+Sets a selection rule for the reciprocal vectors.
";
@@ -5067,13 +4954,13 @@ Returns nullptr, unless overwritten to return a specific material.
%feature("docstring") Layer::setMaterial "void Layer::setMaterial(Material material)
";
-%feature("docstring") Layer::addLayout "void Layer::addLayout(const ILayout &decoration)
+%feature("docstring") Layer::addLayout "void Layer::addLayout(const ParticleLayout &decoration)
";
%feature("docstring") Layer::numberOfLayouts "size_t Layer::numberOfLayouts() const
";
-%feature("docstring") Layer::layouts "std::vector< const ILayout * > Layer::layouts() const
+%feature("docstring") Layer::layouts "std::vector< const ParticleLayout * > Layer::layouts() const
";
%feature("docstring") Layer::getChildren "std::vector< const INode * > Layer::getChildren() const override final
@@ -5789,7 +5676,7 @@ A particle with an internal structure of smaller particles.
C++ includes: MesoCrystal.h
";
-%feature("docstring") MesoCrystal::MesoCrystal "MesoCrystal::MesoCrystal(const IClusteredParticles &particle_structure, const IFormFactor &form_factor)
+%feature("docstring") MesoCrystal::MesoCrystal "MesoCrystal::MesoCrystal(const Crystal &particle_structure, const IFormFactor &form_factor)
";
%feature("docstring") MesoCrystal::~MesoCrystal "MesoCrystal::~MesoCrystal()
@@ -5824,44 +5711,6 @@ C++ includes: MesoCrystalBuilder.h
";
-// File: structMillerIndex.xml
-%feature("docstring") MillerIndex "
-
-A direction in reciprocal space, specified by double-valued indices hkl.
-
-C++ includes: ILatticeOrientation.h
-";
-
-%feature("docstring") MillerIndex::MillerIndex "MillerIndex::MillerIndex(double h_, double k_, double l_)
-";
-
-
-// File: classMillerIndexOrientation.xml
-%feature("docstring") MillerIndexOrientation "
-
-Specifies a rotation of a lattice through the Miller indices of two coordinate axes.
-
-C++ includes: ILatticeOrientation.h
-";
-
-%feature("docstring") MillerIndexOrientation::MillerIndexOrientation "MillerIndexOrientation::MillerIndexOrientation(QComponent q1, MillerIndex index1, QComponent q2, MillerIndex index2)
-
-This constructor is best explained by an example. Arguments QX, (1,1,0), QY, (0,2,1) mean: Rotate the lattice such that the axis [110] points into x direction, and the axis [021], projected into the yz plane, points into z direction.
-";
-
-%feature("docstring") MillerIndexOrientation::~MillerIndexOrientation "MillerIndexOrientation::~MillerIndexOrientation() override
-";
-
-%feature("docstring") MillerIndexOrientation::clone "MillerIndexOrientation * MillerIndexOrientation::clone() const override
-";
-
-%feature("docstring") MillerIndexOrientation::usePrimitiveLattice "void MillerIndexOrientation::usePrimitiveLattice(const Lattice &lattice) override
-";
-
-%feature("docstring") MillerIndexOrientation::transformation "Transform3D MillerIndexOrientation::transformation() const override
-";
-
-
// File: classMisesFisherGaussPeakShape.xml
%feature("docstring") MisesFisherGaussPeakShape "
@@ -6298,12 +6147,12 @@ C++ includes: ParticleLayout.h
%feature("docstring") ParticleLayout::~ParticleLayout "ParticleLayout::~ParticleLayout() override
";
-%feature("docstring") ParticleLayout::clone "ParticleLayout * ParticleLayout::clone() const final override
+%feature("docstring") ParticleLayout::clone "ParticleLayout * ParticleLayout::clone() const override
Returns a clone of this ISample object.
";
-%feature("docstring") ParticleLayout::accept "void ParticleLayout::accept(INodeVisitor *visitor) const final override
+%feature("docstring") ParticleLayout::accept "void ParticleLayout::accept(INodeVisitor *visitor) const override
";
%feature("docstring") ParticleLayout::addParticle "void ParticleLayout::addParticle(const IAbstractParticle &particle, double abundance=-1.0, const kvector_t position={}, const IRotation &rotation=IdentityRotation())
@@ -6326,19 +6175,15 @@ rotation:
Particle rotation
";
-%feature("docstring") ParticleLayout::particles "SafePointerVector< IParticle > ParticleLayout::particles() const final override
+%feature("docstring") ParticleLayout::particles "SafePointerVector< IParticle > ParticleLayout::particles() const
Returns information on all particles (type and abundance) and generates new particles if an IAbstractParticle denotes a collection
";
-%feature("docstring") ParticleLayout::interferenceFunction "const IInterferenceFunction * ParticleLayout::interferenceFunction() const final override
-
-Returns the interference function.
+%feature("docstring") ParticleLayout::interferenceFunction "const IInterferenceFunction * ParticleLayout::interferenceFunction() const
";
-%feature("docstring") ParticleLayout::getTotalAbundance "double ParticleLayout::getTotalAbundance() const final override
-
-Get total abundance of all particles.
+%feature("docstring") ParticleLayout::getTotalAbundance "double ParticleLayout::getTotalAbundance() const
";
%feature("docstring") ParticleLayout::setInterferenceFunction "void ParticleLayout::setInterferenceFunction(const IInterferenceFunction &interference_function)
@@ -6346,12 +6191,10 @@ Get total abundance of all particles.
Adds interference functions.
";
-%feature("docstring") ParticleLayout::totalParticleSurfaceDensity "double ParticleLayout::totalParticleSurfaceDensity() const final override
-
-Returns surface density of all particles.
+%feature("docstring") ParticleLayout::totalParticleSurfaceDensity "double ParticleLayout::totalParticleSurfaceDensity() const
";
-%feature("docstring") ParticleLayout::setTotalParticleSurfaceDensity "void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density) final override
+%feature("docstring") ParticleLayout::setTotalParticleSurfaceDensity "void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density)
Sets total particle surface density.
@@ -6362,7 +6205,17 @@ particle_density:
number of particles per square nanometer
";
-%feature("docstring") ParticleLayout::getChildren "std::vector< const INode * > ParticleLayout::getChildren() const final override
+%feature("docstring") ParticleLayout::getChildren "std::vector< const INode * > ParticleLayout::getChildren() const override
+";
+
+%feature("docstring") ParticleLayout::weight "double ParticleLayout::weight() const
+
+Returns the relative weight of this layout.
+";
+
+%feature("docstring") ParticleLayout::setWeight "void ParticleLayout::setWeight(double weight)
+
+Sets the relative weight of this layout.
";
@@ -7760,13 +7613,13 @@ C++ includes: ZLimits.h
";
-// File: namespace_0d114.xml
+// File: namespace_0d112.xml
-// File: namespace_0d117.xml
+// File: namespace_0d115.xml
-// File: namespace_0d133.xml
+// File: namespace_0d141.xml
// File: namespace_0d145.xml
@@ -7775,132 +7628,150 @@ C++ includes: ZLimits.h
// File: namespace_0d149.xml
-// File: namespace_0d153.xml
+// File: namespace_0d159.xml
// File: namespace_0d16.xml
-// File: namespace_0d163.xml
+// File: namespace_0d161.xml
-// File: namespace_0d165.xml
+// File: namespace_0d163.xml
-// File: namespace_0d167.xml
+// File: namespace_0d173.xml
-// File: namespace_0d177.xml
+// File: namespace_0d194.xml
-// File: namespace_0d199.xml
+// File: namespace_0d196.xml
// File: namespace_0d2.xml
-// File: namespace_0d201.xml
+// File: namespace_0d206.xml
-// File: namespace_0d211.xml
+// File: namespace_0d222.xml
-// File: namespace_0d227.xml
+// File: namespace_0d224.xml
-// File: namespace_0d229.xml
+// File: namespace_0d231.xml
-// File: namespace_0d236.xml
+// File: namespace_0d249.xml
// File: namespace_0d25.xml
-// File: namespace_0d254.xml
+// File: namespace_0d257.xml
-// File: namespace_0d262.xml
+// File: namespace_0d267.xml
-// File: namespace_0d272.xml
+// File: namespace_0d269.xml
-// File: namespace_0d274.xml
+// File: namespace_0d271.xml
-// File: namespace_0d276.xml
+// File: namespace_0d273.xml
-// File: namespace_0d278.xml
+// File: namespace_0d275.xml
-// File: namespace_0d280.xml
+// File: namespace_0d279.xml
-// File: namespace_0d284.xml
+// File: namespace_0d281.xml
-// File: namespace_0d286.xml
+// File: namespace_0d283.xml
-// File: namespace_0d288.xml
+// File: namespace_0d295.xml
-// File: namespace_0d300.xml
+// File: namespace_0d301.xml
-// File: namespace_0d306.xml
+// File: namespace_0d305.xml
// File: namespace_0d31.xml
-// File: namespace_0d310.xml
+// File: namespace_0d323.xml
-// File: namespace_0d328.xml
+// File: namespace_0d342.xml
-// File: namespace_0d347.xml
+// File: namespace_0d37.xml
-// File: namespace_0d37.xml
+// File: namespace_0d39.xml
// File: namespace_0d4.xml
-// File: namespace_0d41.xml
+// File: namespacebake.xml
+%feature("docstring") bake::createCubicLattice "Lattice3D bake::createCubicLattice(double a)
+Returns a primitive cubic (cP) lattice with edge length a.
+";
-// File: namespaceFormFactorPrecompute.xml
-%feature("docstring") FormFactorPrecompute::scalar "std::vector< complex_t > FormFactorPrecompute::scalar(const SimulationElement &sim_element, const std::vector< FormFactorCoherentSum > &ff_wrappers)
+%feature("docstring") bake::createFCCLattice "Lattice3D bake::createFCCLattice(double a)
+
+Returns a face-centered cubic (cF) lattice with edge length a.
";
-%feature("docstring") FormFactorPrecompute::polarized "FormFactorPrecompute::matrixFFVector_t FormFactorPrecompute::polarized(const SimulationElement &sim_element, const std::vector< FormFactorCoherentSum > &ff_wrappers)
+%feature("docstring") bake::createHexagonalLattice "Lattice3D bake::createHexagonalLattice(double a, double c)
+
+Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c.
";
+%feature("docstring") bake::createHCPLattice "Lattice3D bake::createHCPLattice(double a, double c)
-// File: namespaceKzComputation.xml
-%feature("docstring") KzComputation::computeReducedKz "std::vector< complex_t > KzComputation::computeReducedKz(const std::vector< Slice > &slices, kvector_t k)
+TODO: Clarify how this is meant: HCP is not a Bravais lattice.
";
-%feature("docstring") KzComputation::computeKzFromSLDs "std::vector< complex_t > KzComputation::computeKzFromSLDs(const std::vector< Slice > &slices, double kz)
+%feature("docstring") bake::createTetragonalLattice "Lattice3D bake::createTetragonalLattice(double a, double c)
+
+Returns a primitive tetragonal (tP) lattice with square base edge a and height c.
";
-%feature("docstring") KzComputation::computeKzFromRefIndices "std::vector< complex_t > KzComputation::computeKzFromRefIndices(const std::vector< Slice > &slices, kvector_t k)
+%feature("docstring") bake::createBCTLattice "Lattice3D bake::createBCTLattice(double a, double c)
+
+Returns a body-centered cubic (cI) lattice with edge length a. TODO: Clarify meaning of c
";
-// File: namespaceLatticeUtils.xml
-%feature("docstring") LatticeUtils::createFCCLattice "Lattice LatticeUtils::createFCCLattice(double lattice_constant, const ILatticeOrientation &orientation)
+// File: namespaceFormFactorPrecompute.xml
+%feature("docstring") FormFactorPrecompute::scalar "std::vector< complex_t > FormFactorPrecompute::scalar(const SimulationElement &sim_element, const std::vector< FormFactorCoherentSum > &ff_wrappers)
";
-%feature("docstring") LatticeUtils::createHCPLattice "Lattice LatticeUtils::createHCPLattice(double a, double c, const ILatticeOrientation &orientation)
+%feature("docstring") FormFactorPrecompute::polarized "FormFactorPrecompute::matrixFFVector_t FormFactorPrecompute::polarized(const SimulationElement &sim_element, const std::vector< FormFactorCoherentSum > &ff_wrappers)
";
-%feature("docstring") LatticeUtils::createBCTLattice "Lattice LatticeUtils::createBCTLattice(double a, double c, const ILatticeOrientation &orientation)
+
+// File: namespaceKzComputation.xml
+%feature("docstring") KzComputation::computeReducedKz "std::vector< complex_t > KzComputation::computeReducedKz(const std::vector< Slice > &slices, kvector_t k)
+";
+
+%feature("docstring") KzComputation::computeKzFromSLDs "std::vector< complex_t > KzComputation::computeKzFromSLDs(const std::vector< Slice > &slices, double kz)
+";
+
+%feature("docstring") KzComputation::computeKzFromRefIndices "std::vector< complex_t > KzComputation::computeKzFromRefIndices(const std::vector< Slice > &slices, kvector_t k)
";
@@ -8152,12 +8023,6 @@ Used by the hard sphere and by several soft sphere classes.
// File: IDistribution2DSampler_8h.xml
-// File: ILayout_8cpp.xml
-
-
-// File: ILayout_8h.xml
-
-
// File: IPeakShape_8cpp.xml
@@ -8434,31 +8299,25 @@ Used by the hard sphere and by several soft sphere classes.
// File: SSCApproximationStrategy_8h.xml
-// File: ILatticeOrientation_8cpp.xml
+// File: BakeLattice_8cpp.xml
-// File: ILatticeOrientation_8h.xml
+// File: BakeLattice_8h.xml
// File: ISelectionRule_8h.xml
-// File: Lattice_8cpp.xml
-
-
-// File: Lattice_8h.xml
-
-
// File: Lattice2D_8cpp.xml
// File: Lattice2D_8h.xml
-// File: LatticeUtils_8cpp.xml
+// File: Lattice3D_8cpp.xml
-// File: LatticeUtils_8h.xml
+// File: Lattice3D_8h.xml
// File: SomeFormFactors_8cpp.xml
@@ -8654,9 +8513,6 @@ Creates averaged material. Square refractive index of returned material is arith
// File: IAbstractParticle_8h.xml
-// File: IClusteredParticles_8h.xml
-
-
// File: IParticle_8cpp.xml
@@ -9086,7 +8942,7 @@ Generate vertices of centered ellipse with given semi-axes at height z.
// File: LayersWithAbsorptionBySLDBuilder_8cpp.xml
-%feature("docstring") middle_layer_thickness "const double middle_layer_thickness(60.0 *Units::nanometer)
+%feature("docstring") middle_layer_thickness "const double middle_layer_thickness(60.0 *Units::nm)
";
diff --git a/auto/Wrap/libBornAgainParam.py b/auto/Wrap/libBornAgainParam.py
index bdaa25c87a16d62dc73ec775fa93dd33a11372f5..eb21700ad62a1840d19f50014b7fa8d5a8a0a743 100644
--- a/auto/Wrap/libBornAgainParam.py
+++ b/auto/Wrap/libBornAgainParam.py
@@ -3378,7 +3378,7 @@ class INodeVisitor(object):
visit(INodeVisitor self, IFormFactorBorn const * arg2)
visit(INodeVisitor self, IFormFactorDecorator const * arg2)
visit(INodeVisitor self, IInterferenceFunction const * arg2)
- visit(INodeVisitor self, ILayout const * arg2)
+ visit(INodeVisitor self, ParticleLayout const * arg2)
visit(INodeVisitor self, INode arg2)
visit(INodeVisitor self, Instrument const * arg2)
visit(INodeVisitor self, InterferenceFunction1DLattice const * arg2)
@@ -3407,7 +3407,6 @@ class INodeVisitor(object):
visit(INodeVisitor self, ParticleComposition const * arg2)
visit(INodeVisitor self, ParticleCoreShell const * arg2)
visit(INodeVisitor self, ParticleDistribution const * arg2)
- visit(INodeVisitor self, ParticleLayout const * arg2)
visit(INodeVisitor self, PoissonNoiseBackground const * arg2)
visit(INodeVisitor self, RectangularDetector const * arg2)
visit(INodeVisitor self, ResolutionFunction2DGaussian const * arg2)
diff --git a/auto/Wrap/libBornAgainParam_wrap.cpp b/auto/Wrap/libBornAgainParam_wrap.cpp
index 6ab9f2becdd4e00010cab6a22816fab27bb67b1b..29087bfebd50fd9fab8bd1879376f7dafe6d8c05 100644
--- a/auto/Wrap/libBornAgainParam_wrap.cpp
+++ b/auto/Wrap/libBornAgainParam_wrap.cpp
@@ -3185,121 +3185,120 @@ namespace Swig {
#define SWIGTYPE_p_IFormFactorBorn swig_types[85]
#define SWIGTYPE_p_IFormFactorDecorator swig_types[86]
#define SWIGTYPE_p_IInterferenceFunction swig_types[87]
-#define SWIGTYPE_p_ILayout swig_types[88]
-#define SWIGTYPE_p_INode swig_types[89]
-#define SWIGTYPE_p_INodeVisitor swig_types[90]
-#define SWIGTYPE_p_IParameterT_double_t swig_types[91]
-#define SWIGTYPE_p_IParameterized swig_types[92]
-#define SWIGTYPE_p_IParticle swig_types[93]
-#define SWIGTYPE_p_IPeakShape swig_types[94]
-#define SWIGTYPE_p_IRotation swig_types[95]
-#define SWIGTYPE_p_ISample swig_types[96]
-#define SWIGTYPE_p_IdentityRotation swig_types[97]
-#define SWIGTYPE_p_Instrument swig_types[98]
-#define SWIGTYPE_p_InterferenceFunction1DLattice swig_types[99]
-#define SWIGTYPE_p_InterferenceFunction2DLattice swig_types[100]
-#define SWIGTYPE_p_InterferenceFunction2DParaCrystal swig_types[101]
-#define SWIGTYPE_p_InterferenceFunction2DSuperLattice swig_types[102]
-#define SWIGTYPE_p_InterferenceFunction3DLattice swig_types[103]
-#define SWIGTYPE_p_InterferenceFunctionFinite2DLattice swig_types[104]
-#define SWIGTYPE_p_InterferenceFunctionFinite3DLattice swig_types[105]
-#define SWIGTYPE_p_InterferenceFunctionHardDisk swig_types[106]
-#define SWIGTYPE_p_InterferenceFunctionNone swig_types[107]
-#define SWIGTYPE_p_InterferenceFunctionRadialParaCrystal swig_types[108]
-#define SWIGTYPE_p_InterferenceFunctionTwin swig_types[109]
-#define SWIGTYPE_p_IsGISAXSDetector swig_types[110]
-#define SWIGTYPE_p_Layer swig_types[111]
-#define SWIGTYPE_p_LayerInterface swig_types[112]
-#define SWIGTYPE_p_LayerRoughness swig_types[113]
-#define SWIGTYPE_p_MesoCrystal swig_types[114]
-#define SWIGTYPE_p_MultiLayer swig_types[115]
-#define SWIGTYPE_p_NodeMeta swig_types[116]
-#define SWIGTYPE_p_OffSpecSimulation swig_types[117]
-#define SWIGTYPE_p_ParaMeta swig_types[118]
-#define SWIGTYPE_p_ParameterDistribution swig_types[119]
-#define SWIGTYPE_p_ParameterPool swig_types[120]
-#define SWIGTYPE_p_ParameterSample swig_types[121]
-#define SWIGTYPE_p_Particle swig_types[122]
-#define SWIGTYPE_p_ParticleComposition swig_types[123]
-#define SWIGTYPE_p_ParticleCoreShell swig_types[124]
-#define SWIGTYPE_p_ParticleDistribution swig_types[125]
-#define SWIGTYPE_p_ParticleLayout swig_types[126]
-#define SWIGTYPE_p_PoissonNoiseBackground swig_types[127]
-#define SWIGTYPE_p_RangedDistribution swig_types[128]
-#define SWIGTYPE_p_RangedDistributionCosine swig_types[129]
-#define SWIGTYPE_p_RangedDistributionGate swig_types[130]
-#define SWIGTYPE_p_RangedDistributionGaussian swig_types[131]
-#define SWIGTYPE_p_RangedDistributionLogNormal swig_types[132]
-#define SWIGTYPE_p_RangedDistributionLorentz swig_types[133]
-#define SWIGTYPE_p_RealLimits swig_types[134]
-#define SWIGTYPE_p_RealParameter swig_types[135]
-#define SWIGTYPE_p_RectangularDetector swig_types[136]
-#define SWIGTYPE_p_ResolutionFunction2DGaussian swig_types[137]
-#define SWIGTYPE_p_RotationEuler swig_types[138]
-#define SWIGTYPE_p_RotationX swig_types[139]
-#define SWIGTYPE_p_RotationY swig_types[140]
-#define SWIGTYPE_p_RotationZ swig_types[141]
-#define SWIGTYPE_p_SpecularDetector1D swig_types[142]
-#define SWIGTYPE_p_SpecularSimulation swig_types[143]
-#define SWIGTYPE_p_SphericalDetector swig_types[144]
-#define SWIGTYPE_p_SquareLattice swig_types[145]
-#define SWIGTYPE_p_allocator_type swig_types[146]
-#define SWIGTYPE_p_char swig_types[147]
-#define SWIGTYPE_p_difference_type swig_types[148]
-#define SWIGTYPE_p_double swig_types[149]
-#define SWIGTYPE_p_first_type swig_types[150]
-#define SWIGTYPE_p_int swig_types[151]
-#define SWIGTYPE_p_key_type swig_types[152]
-#define SWIGTYPE_p_long_long swig_types[153]
-#define SWIGTYPE_p_mapped_type swig_types[154]
-#define SWIGTYPE_p_p_PyObject swig_types[155]
-#define SWIGTYPE_p_second_type swig_types[156]
-#define SWIGTYPE_p_short swig_types[157]
-#define SWIGTYPE_p_signed_char swig_types[158]
-#define SWIGTYPE_p_size_type swig_types[159]
-#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_double_t_t swig_types[160]
-#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t swig_types[161]
-#define SWIGTYPE_p_std__allocatorT_INode_const_p_t swig_types[162]
-#define SWIGTYPE_p_std__allocatorT_INode_p_t swig_types[163]
-#define SWIGTYPE_p_std__allocatorT_ParameterSample_t swig_types[164]
-#define SWIGTYPE_p_std__allocatorT_double_t swig_types[165]
-#define SWIGTYPE_p_std__allocatorT_int_t swig_types[166]
-#define SWIGTYPE_p_std__allocatorT_std__complexT_double_t_t swig_types[167]
-#define SWIGTYPE_p_std__allocatorT_std__pairT_double_double_t_t swig_types[168]
-#define SWIGTYPE_p_std__allocatorT_std__pairT_std__string_const_double_t_t swig_types[169]
-#define SWIGTYPE_p_std__allocatorT_std__string_t swig_types[170]
-#define SWIGTYPE_p_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t swig_types[171]
-#define SWIGTYPE_p_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t swig_types[172]
-#define SWIGTYPE_p_std__allocatorT_unsigned_long_t swig_types[173]
-#define SWIGTYPE_p_std__complexT_double_t swig_types[174]
-#define SWIGTYPE_p_std__functionT_void_fF_t swig_types[175]
-#define SWIGTYPE_p_std__invalid_argument swig_types[176]
-#define SWIGTYPE_p_std__lessT_std__string_t swig_types[177]
-#define SWIGTYPE_p_std__mapT_std__string_double_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_double_t_t_t swig_types[178]
-#define SWIGTYPE_p_std__pairT_double_double_t swig_types[179]
-#define SWIGTYPE_p_std__vectorT_BasicVector3DT_double_t_std__allocatorT_BasicVector3DT_double_t_t_t swig_types[180]
-#define SWIGTYPE_p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t swig_types[181]
-#define SWIGTYPE_p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t swig_types[182]
-#define SWIGTYPE_p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t swig_types[183]
-#define SWIGTYPE_p_std__vectorT_ParaMeta_std__allocatorT_ParaMeta_t_t swig_types[184]
-#define SWIGTYPE_p_std__vectorT_ParameterSample_std__allocatorT_ParameterSample_t_t swig_types[185]
-#define SWIGTYPE_p_std__vectorT_RealParameter_p_std__allocatorT_RealParameter_p_t_t swig_types[186]
-#define SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t swig_types[187]
-#define SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t swig_types[188]
-#define SWIGTYPE_p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t swig_types[189]
-#define SWIGTYPE_p_std__vectorT_std__pairT_double_double_t_std__allocatorT_std__pairT_double_double_t_t_t swig_types[190]
-#define SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t swig_types[191]
-#define SWIGTYPE_p_std__vectorT_std__vectorT_double_std__allocatorT_double_t_t_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t_t swig_types[192]
-#define SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t swig_types[193]
-#define SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t swig_types[194]
-#define SWIGTYPE_p_swig__SwigPyIterator swig_types[195]
-#define SWIGTYPE_p_unsigned_char swig_types[196]
-#define SWIGTYPE_p_unsigned_int swig_types[197]
-#define SWIGTYPE_p_unsigned_long_long swig_types[198]
-#define SWIGTYPE_p_unsigned_short swig_types[199]
-#define SWIGTYPE_p_value_type swig_types[200]
-static swig_type_info *swig_types[202];
-static swig_module_info swig_module = {swig_types, 201, 0, 0, 0, 0};
+#define SWIGTYPE_p_INode swig_types[88]
+#define SWIGTYPE_p_INodeVisitor swig_types[89]
+#define SWIGTYPE_p_IParameterT_double_t swig_types[90]
+#define SWIGTYPE_p_IParameterized swig_types[91]
+#define SWIGTYPE_p_IParticle swig_types[92]
+#define SWIGTYPE_p_IPeakShape swig_types[93]
+#define SWIGTYPE_p_IRotation swig_types[94]
+#define SWIGTYPE_p_ISample swig_types[95]
+#define SWIGTYPE_p_IdentityRotation swig_types[96]
+#define SWIGTYPE_p_Instrument swig_types[97]
+#define SWIGTYPE_p_InterferenceFunction1DLattice swig_types[98]
+#define SWIGTYPE_p_InterferenceFunction2DLattice swig_types[99]
+#define SWIGTYPE_p_InterferenceFunction2DParaCrystal swig_types[100]
+#define SWIGTYPE_p_InterferenceFunction2DSuperLattice swig_types[101]
+#define SWIGTYPE_p_InterferenceFunction3DLattice swig_types[102]
+#define SWIGTYPE_p_InterferenceFunctionFinite2DLattice swig_types[103]
+#define SWIGTYPE_p_InterferenceFunctionFinite3DLattice swig_types[104]
+#define SWIGTYPE_p_InterferenceFunctionHardDisk swig_types[105]
+#define SWIGTYPE_p_InterferenceFunctionNone swig_types[106]
+#define SWIGTYPE_p_InterferenceFunctionRadialParaCrystal swig_types[107]
+#define SWIGTYPE_p_InterferenceFunctionTwin swig_types[108]
+#define SWIGTYPE_p_IsGISAXSDetector swig_types[109]
+#define SWIGTYPE_p_Layer swig_types[110]
+#define SWIGTYPE_p_LayerInterface swig_types[111]
+#define SWIGTYPE_p_LayerRoughness swig_types[112]
+#define SWIGTYPE_p_MesoCrystal swig_types[113]
+#define SWIGTYPE_p_MultiLayer swig_types[114]
+#define SWIGTYPE_p_NodeMeta swig_types[115]
+#define SWIGTYPE_p_OffSpecSimulation swig_types[116]
+#define SWIGTYPE_p_ParaMeta swig_types[117]
+#define SWIGTYPE_p_ParameterDistribution swig_types[118]
+#define SWIGTYPE_p_ParameterPool swig_types[119]
+#define SWIGTYPE_p_ParameterSample swig_types[120]
+#define SWIGTYPE_p_Particle swig_types[121]
+#define SWIGTYPE_p_ParticleComposition swig_types[122]
+#define SWIGTYPE_p_ParticleCoreShell swig_types[123]
+#define SWIGTYPE_p_ParticleDistribution swig_types[124]
+#define SWIGTYPE_p_ParticleLayout swig_types[125]
+#define SWIGTYPE_p_PoissonNoiseBackground swig_types[126]
+#define SWIGTYPE_p_RangedDistribution swig_types[127]
+#define SWIGTYPE_p_RangedDistributionCosine swig_types[128]
+#define SWIGTYPE_p_RangedDistributionGate swig_types[129]
+#define SWIGTYPE_p_RangedDistributionGaussian swig_types[130]
+#define SWIGTYPE_p_RangedDistributionLogNormal swig_types[131]
+#define SWIGTYPE_p_RangedDistributionLorentz swig_types[132]
+#define SWIGTYPE_p_RealLimits swig_types[133]
+#define SWIGTYPE_p_RealParameter swig_types[134]
+#define SWIGTYPE_p_RectangularDetector swig_types[135]
+#define SWIGTYPE_p_ResolutionFunction2DGaussian swig_types[136]
+#define SWIGTYPE_p_RotationEuler swig_types[137]
+#define SWIGTYPE_p_RotationX swig_types[138]
+#define SWIGTYPE_p_RotationY swig_types[139]
+#define SWIGTYPE_p_RotationZ swig_types[140]
+#define SWIGTYPE_p_SpecularDetector1D swig_types[141]
+#define SWIGTYPE_p_SpecularSimulation swig_types[142]
+#define SWIGTYPE_p_SphericalDetector swig_types[143]
+#define SWIGTYPE_p_SquareLattice swig_types[144]
+#define SWIGTYPE_p_allocator_type swig_types[145]
+#define SWIGTYPE_p_char swig_types[146]
+#define SWIGTYPE_p_difference_type swig_types[147]
+#define SWIGTYPE_p_double swig_types[148]
+#define SWIGTYPE_p_first_type swig_types[149]
+#define SWIGTYPE_p_int swig_types[150]
+#define SWIGTYPE_p_key_type swig_types[151]
+#define SWIGTYPE_p_long_long swig_types[152]
+#define SWIGTYPE_p_mapped_type swig_types[153]
+#define SWIGTYPE_p_p_PyObject swig_types[154]
+#define SWIGTYPE_p_second_type swig_types[155]
+#define SWIGTYPE_p_short swig_types[156]
+#define SWIGTYPE_p_signed_char swig_types[157]
+#define SWIGTYPE_p_size_type swig_types[158]
+#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_double_t_t swig_types[159]
+#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t swig_types[160]
+#define SWIGTYPE_p_std__allocatorT_INode_const_p_t swig_types[161]
+#define SWIGTYPE_p_std__allocatorT_INode_p_t swig_types[162]
+#define SWIGTYPE_p_std__allocatorT_ParameterSample_t swig_types[163]
+#define SWIGTYPE_p_std__allocatorT_double_t swig_types[164]
+#define SWIGTYPE_p_std__allocatorT_int_t swig_types[165]
+#define SWIGTYPE_p_std__allocatorT_std__complexT_double_t_t swig_types[166]
+#define SWIGTYPE_p_std__allocatorT_std__pairT_double_double_t_t swig_types[167]
+#define SWIGTYPE_p_std__allocatorT_std__pairT_std__string_const_double_t_t swig_types[168]
+#define SWIGTYPE_p_std__allocatorT_std__string_t swig_types[169]
+#define SWIGTYPE_p_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t swig_types[170]
+#define SWIGTYPE_p_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t swig_types[171]
+#define SWIGTYPE_p_std__allocatorT_unsigned_long_t swig_types[172]
+#define SWIGTYPE_p_std__complexT_double_t swig_types[173]
+#define SWIGTYPE_p_std__functionT_void_fF_t swig_types[174]
+#define SWIGTYPE_p_std__invalid_argument swig_types[175]
+#define SWIGTYPE_p_std__lessT_std__string_t swig_types[176]
+#define SWIGTYPE_p_std__mapT_std__string_double_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_double_t_t_t swig_types[177]
+#define SWIGTYPE_p_std__pairT_double_double_t swig_types[178]
+#define SWIGTYPE_p_std__vectorT_BasicVector3DT_double_t_std__allocatorT_BasicVector3DT_double_t_t_t swig_types[179]
+#define SWIGTYPE_p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t swig_types[180]
+#define SWIGTYPE_p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t swig_types[181]
+#define SWIGTYPE_p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t swig_types[182]
+#define SWIGTYPE_p_std__vectorT_ParaMeta_std__allocatorT_ParaMeta_t_t swig_types[183]
+#define SWIGTYPE_p_std__vectorT_ParameterSample_std__allocatorT_ParameterSample_t_t swig_types[184]
+#define SWIGTYPE_p_std__vectorT_RealParameter_p_std__allocatorT_RealParameter_p_t_t swig_types[185]
+#define SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t swig_types[186]
+#define SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t swig_types[187]
+#define SWIGTYPE_p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t swig_types[188]
+#define SWIGTYPE_p_std__vectorT_std__pairT_double_double_t_std__allocatorT_std__pairT_double_double_t_t_t swig_types[189]
+#define SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t swig_types[190]
+#define SWIGTYPE_p_std__vectorT_std__vectorT_double_std__allocatorT_double_t_t_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t_t swig_types[191]
+#define SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t swig_types[192]
+#define SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t swig_types[193]
+#define SWIGTYPE_p_swig__SwigPyIterator swig_types[194]
+#define SWIGTYPE_p_unsigned_char swig_types[195]
+#define SWIGTYPE_p_unsigned_int swig_types[196]
+#define SWIGTYPE_p_unsigned_long_long swig_types[197]
+#define SWIGTYPE_p_unsigned_short swig_types[198]
+#define SWIGTYPE_p_value_type swig_types[199]
+static swig_type_info *swig_types[201];
+static swig_module_info swig_module = {swig_types, 200, 0, 0, 0, 0};
#define SWIG_TypeQuery(name) SWIG_TypeQueryModule(&swig_module, &swig_module, name)
#define SWIG_MangledTypeQuery(name) SWIG_MangledTypeQueryModule(&swig_module, &swig_module, name)
@@ -39217,7 +39216,7 @@ fail:
SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_83(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
- ILayout *arg2 = (ILayout *) 0 ;
+ ParticleLayout *arg2 = (ParticleLayout *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 = 0 ;
@@ -39229,12 +39228,12 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_83(PyObject *SWIGUNUSEDPARM(
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "INodeVisitor_visit" "', argument " "1"" of type '" "INodeVisitor *""'");
}
arg1 = reinterpret_cast< INodeVisitor * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2,SWIGTYPE_p_ILayout, 0 | 0 );
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2,SWIGTYPE_p_ParticleLayout, 0 | 0 );
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "INodeVisitor_visit" "', argument " "2"" of type '" "ILayout const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "INodeVisitor_visit" "', argument " "2"" of type '" "ParticleLayout const *""'");
}
- arg2 = reinterpret_cast< ILayout * >(argp2);
- (arg1)->visit((ILayout const *)arg2);
+ arg2 = reinterpret_cast< ParticleLayout * >(argp2);
+ (arg1)->visit((ParticleLayout const *)arg2);
resultobj = SWIG_Py_Void();
return resultobj;
fail:
@@ -40027,34 +40026,6 @@ fail:
SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_112(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
- PyObject *resultobj = 0;
- INodeVisitor *arg1 = (INodeVisitor *) 0 ;
- ParticleLayout *arg2 = (ParticleLayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 = 0 ;
- int res2 = 0 ;
-
- if ((nobjs < 2) || (nobjs > 2)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_INodeVisitor, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "INodeVisitor_visit" "', argument " "1"" of type '" "INodeVisitor *""'");
- }
- arg1 = reinterpret_cast< INodeVisitor * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2,SWIGTYPE_p_ParticleLayout, 0 | 0 );
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "INodeVisitor_visit" "', argument " "2"" of type '" "ParticleLayout const *""'");
- }
- arg2 = reinterpret_cast< ParticleLayout * >(argp2);
- (arg1)->visit((ParticleLayout const *)arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_113(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
PoissonNoiseBackground *arg2 = (PoissonNoiseBackground *) 0 ;
@@ -40082,7 +40053,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_114(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_113(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
RectangularDetector *arg2 = (RectangularDetector *) 0 ;
@@ -40110,7 +40081,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_115(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_114(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
ResolutionFunction2DGaussian *arg2 = (ResolutionFunction2DGaussian *) 0 ;
@@ -40138,7 +40109,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_116(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_115(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
RotationEuler *arg2 = (RotationEuler *) 0 ;
@@ -40166,7 +40137,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_117(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_116(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
RotationX *arg2 = (RotationX *) 0 ;
@@ -40194,7 +40165,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_118(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_117(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
RotationY *arg2 = (RotationY *) 0 ;
@@ -40222,7 +40193,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_119(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_118(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
RotationZ *arg2 = (RotationZ *) 0 ;
@@ -40250,7 +40221,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_120(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_119(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
SpecularDetector1D *arg2 = (SpecularDetector1D *) 0 ;
@@ -40278,7 +40249,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_121(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_120(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
SpecularSimulation *arg2 = (SpecularSimulation *) 0 ;
@@ -40306,7 +40277,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_122(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_121(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
SphericalDetector *arg2 = (SphericalDetector *) 0 ;
@@ -40334,7 +40305,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_123(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_INodeVisitor_visit__SWIG_122(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
INodeVisitor *arg1 = (INodeVisitor *) 0 ;
SquareLattice *arg2 = (SquareLattice *) 0 ;
@@ -41539,7 +41510,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
_v = SWIG_CheckState(res);
if (_v) {
void *vptr = 0;
- int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_ILayout, 0);
+ int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_ParticleLayout, 0);
_v = SWIG_CheckState(res);
if (_v) {
return _wrap_INodeVisitor_visit__SWIG_83(self, argc, argv);
@@ -41938,20 +41909,6 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
}
}
}
- if (argc == 2) {
- int _v;
- void *vptr = 0;
- int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_INodeVisitor, 0);
- _v = SWIG_CheckState(res);
- if (_v) {
- void *vptr = 0;
- int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_ParticleLayout, 0);
- _v = SWIG_CheckState(res);
- if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_112(self, argc, argv);
- }
- }
- }
if (argc == 2) {
int _v;
void *vptr = 0;
@@ -41962,7 +41919,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_PoissonNoiseBackground, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_113(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_112(self, argc, argv);
}
}
}
@@ -41976,7 +41933,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_RectangularDetector, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_114(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_113(self, argc, argv);
}
}
}
@@ -41990,7 +41947,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_ResolutionFunction2DGaussian, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_115(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_114(self, argc, argv);
}
}
}
@@ -42004,7 +41961,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_RotationEuler, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_116(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_115(self, argc, argv);
}
}
}
@@ -42018,7 +41975,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_RotationX, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_117(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_116(self, argc, argv);
}
}
}
@@ -42032,7 +41989,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_RotationY, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_118(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_117(self, argc, argv);
}
}
}
@@ -42046,7 +42003,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_RotationZ, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_119(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_118(self, argc, argv);
}
}
}
@@ -42060,7 +42017,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_SpecularDetector1D, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_120(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_119(self, argc, argv);
}
}
}
@@ -42074,7 +42031,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_SpecularSimulation, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_121(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_120(self, argc, argv);
}
}
}
@@ -42088,7 +42045,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_SphericalDetector, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_122(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_121(self, argc, argv);
}
}
}
@@ -42102,7 +42059,7 @@ SWIGINTERN PyObject *_wrap_INodeVisitor_visit(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_SquareLattice, 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_INodeVisitor_visit__SWIG_123(self, argc, argv);
+ return _wrap_INodeVisitor_visit__SWIG_122(self, argc, argv);
}
}
}
@@ -42193,7 +42150,7 @@ fail:
" INodeVisitor::visit(IFormFactorBorn const *)\n"
" INodeVisitor::visit(IFormFactorDecorator const *)\n"
" INodeVisitor::visit(IInterferenceFunction const *)\n"
- " INodeVisitor::visit(ILayout const *)\n"
+ " INodeVisitor::visit(ParticleLayout const *)\n"
" INodeVisitor::visit(INode const *)\n"
" INodeVisitor::visit(Instrument const *)\n"
" INodeVisitor::visit(InterferenceFunction1DLattice const *)\n"
@@ -42222,7 +42179,6 @@ fail:
" INodeVisitor::visit(ParticleComposition const *)\n"
" INodeVisitor::visit(ParticleCoreShell const *)\n"
" INodeVisitor::visit(ParticleDistribution const *)\n"
- " INodeVisitor::visit(ParticleLayout const *)\n"
" INodeVisitor::visit(PoissonNoiseBackground const *)\n"
" INodeVisitor::visit(RectangularDetector const *)\n"
" INodeVisitor::visit(ResolutionFunction2DGaussian const *)\n"
@@ -51274,7 +51230,7 @@ static PyMethodDef SwigMethods[] = {
"INodeVisitor_visit(INodeVisitor self, IFormFactorBorn const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, IFormFactorDecorator const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, IInterferenceFunction const * arg2)\n"
- "INodeVisitor_visit(INodeVisitor self, ILayout const * arg2)\n"
+ "INodeVisitor_visit(INodeVisitor self, ParticleLayout const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, INode arg2)\n"
"INodeVisitor_visit(INodeVisitor self, Instrument const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, InterferenceFunction1DLattice const * arg2)\n"
@@ -51303,7 +51259,6 @@ static PyMethodDef SwigMethods[] = {
"INodeVisitor_visit(INodeVisitor self, ParticleComposition const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, ParticleCoreShell const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, ParticleDistribution const * arg2)\n"
- "INodeVisitor_visit(INodeVisitor self, ParticleLayout const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, PoissonNoiseBackground const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, RectangularDetector const * arg2)\n"
"INodeVisitor_visit(INodeVisitor self, ResolutionFunction2DGaussian const * arg2)\n"
@@ -52236,7 +52191,6 @@ static swig_type_info _swigt__p_IFormFactor = {"_p_IFormFactor", "IFormFactor *"
static swig_type_info _swigt__p_IFormFactorBorn = {"_p_IFormFactorBorn", "IFormFactorBorn *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IFormFactorDecorator = {"_p_IFormFactorDecorator", "IFormFactorDecorator *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IInterferenceFunction = {"_p_IInterferenceFunction", "IInterferenceFunction *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_ILayout = {"_p_ILayout", "ILayout *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_INode = {"_p_INode", "INode *|std::vector< INode * >::value_type|std::vector< INode const * >::value_type", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_INodeVisitor = {"_p_INodeVisitor", "INodeVisitor *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IParameterT_double_t = {"_p_IParameterT_double_t", "IParameter< double > *", 0, 0, (void*)0, 0};
@@ -52439,7 +52393,6 @@ static swig_type_info *swig_type_initial[] = {
&_swigt__p_IFormFactorBorn,
&_swigt__p_IFormFactorDecorator,
&_swigt__p_IInterferenceFunction,
- &_swigt__p_ILayout,
&_swigt__p_INode,
&_swigt__p_INodeVisitor,
&_swigt__p_IParameterT_double_t,
@@ -52642,7 +52595,6 @@ static swig_cast_info _swigc__p_IFormFactor[] = { {&_swigt__p_IFormFactor, 0, 0
static swig_cast_info _swigc__p_IFormFactorBorn[] = { {&_swigt__p_IFormFactorBorn, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IFormFactorDecorator[] = { {&_swigt__p_IFormFactorDecorator, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IInterferenceFunction[] = { {&_swigt__p_IInterferenceFunction, 0, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_ILayout[] = { {&_swigt__p_ILayout, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_INode[] = { {&_swigt__p_INode, 0, 0, 0}, {&_swigt__p_DistributionCosine, _p_DistributionCosineTo_p_INode, 0, 0}, {&_swigt__p_DistributionLorentz, _p_DistributionLorentzTo_p_INode, 0, 0}, {&_swigt__p_DistributionGaussian, _p_DistributionGaussianTo_p_INode, 0, 0}, {&_swigt__p_IDistribution1D, _p_IDistribution1DTo_p_INode, 0, 0}, {&_swigt__p_DistributionGate, _p_DistributionGateTo_p_INode, 0, 0}, {&_swigt__p_DistributionTrapezoid, _p_DistributionTrapezoidTo_p_INode, 0, 0}, {&_swigt__p_DistributionLogNormal, _p_DistributionLogNormalTo_p_INode, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_INodeVisitor[] = { {&_swigt__p_INodeVisitor, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IParameterT_double_t[] = { {&_swigt__p_IParameterT_double_t, 0, 0, 0}, {&_swigt__p_RealParameter, _p_RealParameterTo_p_IParameterT_double_t, 0, 0},{0, 0, 0, 0}};
@@ -52845,7 +52797,6 @@ static swig_cast_info *swig_cast_initial[] = {
_swigc__p_IFormFactorBorn,
_swigc__p_IFormFactorDecorator,
_swigc__p_IInterferenceFunction,
- _swigc__p_ILayout,
_swigc__p_INode,
_swigc__p_INodeVisitor,
_swigc__p_IParameterT_double_t,
diff --git a/auto/Wrap/libBornAgainSample.py b/auto/Wrap/libBornAgainSample.py
index 697a6fd0aba96c9639ebc86253b405b0c74ff293..a2d99c80baa8328bb5576bd3903270acce4682ae 100644
--- a/auto/Wrap/libBornAgainSample.py
+++ b/auto/Wrap/libBornAgainSample.py
@@ -4056,8 +4056,8 @@ class FormFactorCrystal(IFormFactor):
def __init__(self, lattice, basis_form_factor, meso_form_factor, position_variance=0.0):
r"""
- __init__(FormFactorCrystal self, Lattice lattice, IFormFactor basis_form_factor, IFormFactor meso_form_factor, double position_variance=0.0) -> FormFactorCrystal
- FormFactorCrystal::FormFactorCrystal(const Lattice &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)
+ __init__(FormFactorCrystal self, Lattice3D lattice, IFormFactor basis_form_factor, IFormFactor meso_form_factor, double position_variance=0.0) -> FormFactorCrystal
+ FormFactorCrystal::FormFactorCrystal(const Lattice3D &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)
"""
_libBornAgainSample.FormFactorCrystal_swiginit(self, _libBornAgainSample.new_FormFactorCrystal(lattice, basis_form_factor, meso_form_factor, position_variance))
@@ -4331,61 +4331,17 @@ class IAbstractParticle(ISample):
# Register IAbstractParticle in _libBornAgainSample:
_libBornAgainSample.IAbstractParticle_swigregister(IAbstractParticle)
-class IClusteredParticles(ISample):
+class Crystal(ISample):
r"""
- An ordered assembly of particles. Currently, the only child class is Crystal.
+ A crystal structure, defined by a Bravais lattice, a basis, and a position variance.
- C++ includes: IClusteredParticles.h
+ The basis is either a Particle or a ParticleComposition.
- """
-
- thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
-
- def __init__(self, *args, **kwargs):
- raise AttributeError("No constructor defined - class is abstract")
- __repr__ = _swig_repr
-
- def clone(self):
- r"""
- clone(IClusteredParticles self) -> IClusteredParticles
- IClusteredParticles* IClusteredParticles::clone() const override=0
-
- Returns a clone of this ISample object.
-
- """
- return _libBornAgainSample.IClusteredParticles_clone(self)
+ Computations are delegated to class FormFactorCrystal.
- def createTotalFormFactor(self, arg2, arg3, arg4):
- r"""
- createTotalFormFactor(IClusteredParticles self, IFormFactor arg2, IRotation arg3, kvector_t arg4) -> IFormFactor
- virtual IFormFactor* IClusteredParticles::createTotalFormFactor(const IFormFactor &, const IRotation *, const kvector_t &) const =0
-
- Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself
-
- """
- return _libBornAgainSample.IClusteredParticles_createTotalFormFactor(self, arg2, arg3, arg4)
-
- def homogeneousRegions(self):
- r"""
- homogeneousRegions(IClusteredParticles self) -> std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > >
- virtual std::vector<HomogeneousRegion> IClusteredParticles::homogeneousRegions() const =0
-
- Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume
-
- """
- return _libBornAgainSample.IClusteredParticles_homogeneousRegions(self)
- __swig_destroy__ = _libBornAgainSample.delete_IClusteredParticles
-
-# Register IClusteredParticles in _libBornAgainSample:
-_libBornAgainSample.IClusteredParticles_swigregister(IClusteredParticles)
-
-class Crystal(IClusteredParticles):
- r"""
-
-
- A crystal structure with a ParticleComposition as a basis. Used in MesoCrystal, where it is given an outer shape.
+ Used in MesoCrystal, where it is given an outer shape.
C++ includes: Crystal.h
@@ -4394,13 +4350,13 @@ class Crystal(IClusteredParticles):
thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
__repr__ = _swig_repr
- def __init__(self, lattice_basis, lattice):
+ def __init__(self, basis, lattice, position_variance=0):
r"""
- __init__(Crystal self, IParticle lattice_basis, Lattice lattice) -> Crystal
- Crystal::Crystal(const IParticle &lattice_basis, const Lattice &lattice)
+ __init__(Crystal self, IParticle basis, Lattice3D lattice, double position_variance=0) -> Crystal
+ Crystal::Crystal(const IParticle &basis, const Lattice3D &lattice, double position_variance=0)
"""
- _libBornAgainSample.Crystal_swiginit(self, _libBornAgainSample.new_Crystal(lattice_basis, lattice))
+ _libBornAgainSample.Crystal_swiginit(self, _libBornAgainSample.new_Crystal(basis, lattice, position_variance))
__swig_destroy__ = _libBornAgainSample.delete_Crystal
def clone(self):
@@ -4424,9 +4380,7 @@ class Crystal(IClusteredParticles):
def createTotalFormFactor(self, meso_crystal_form_factor, p_rotation, translation):
r"""
createTotalFormFactor(Crystal self, IFormFactor meso_crystal_form_factor, IRotation p_rotation, kvector_t translation) -> IFormFactor
- IFormFactor * Crystal::createTotalFormFactor(const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const override final
-
- Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself
+ IFormFactor * Crystal::createTotalFormFactor(const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const
"""
return _libBornAgainSample.Crystal_createTotalFormFactor(self, meso_crystal_form_factor, p_rotation, translation)
@@ -4434,29 +4388,19 @@ class Crystal(IClusteredParticles):
def homogeneousRegions(self):
r"""
homogeneousRegions(Crystal self) -> std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > >
- std::vector< HomogeneousRegion > Crystal::homogeneousRegions() const override final
-
- Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume
+ std::vector< HomogeneousRegion > Crystal::homogeneousRegions() const
"""
return _libBornAgainSample.Crystal_homogeneousRegions(self)
def transformedLattice(self, p_rotation=None):
r"""
- transformedLattice(Crystal self, IRotation p_rotation=None) -> Lattice
- Lattice Crystal::transformedLattice(const IRotation *p_rotation=nullptr) const
+ transformedLattice(Crystal self, IRotation p_rotation=None) -> Lattice3D
+ Lattice3D Crystal::transformedLattice(const IRotation *p_rotation=nullptr) const
"""
return _libBornAgainSample.Crystal_transformedLattice(self, p_rotation)
- def setPositionVariance(self, position_variance):
- r"""
- setPositionVariance(Crystal self, double position_variance)
- void Crystal::setPositionVariance(double position_variance)
-
- """
- return _libBornAgainSample.Crystal_setPositionVariance(self, position_variance)
-
def getChildren(self):
r"""
getChildren(Crystal self) -> swig_dummy_type_const_inode_vector
@@ -4652,8 +4596,8 @@ class MesoCrystal(IParticle):
def __init__(self, particle_structure, form_factor):
r"""
- __init__(MesoCrystal self, IClusteredParticles particle_structure, IFormFactor form_factor) -> MesoCrystal
- MesoCrystal::MesoCrystal(const IClusteredParticles &particle_structure, const IFormFactor &form_factor)
+ __init__(MesoCrystal self, Crystal particle_structure, IFormFactor form_factor) -> MesoCrystal
+ MesoCrystal::MesoCrystal(const Crystal &particle_structure, const IFormFactor &form_factor)
"""
_libBornAgainSample.MesoCrystal_swiginit(self, _libBornAgainSample.new_MesoCrystal(particle_structure, form_factor))
@@ -6357,114 +6301,6 @@ class FTDistribution2DVoigt(IFTDistribution2D):
# Register FTDistribution2DVoigt in _libBornAgainSample:
_libBornAgainSample.FTDistribution2DVoigt_swigregister(FTDistribution2DVoigt)
-class ILayout(ISample):
- r"""
-
-
- Pure virtual interface class to equip a sample layer with scattering properties. Currently only inherited by ParticleLayout; in the future also by domain structure.
-
- C++ includes: ILayout.h
-
- """
-
- thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
-
- def __init__(self, *args, **kwargs):
- raise AttributeError("No constructor defined - class is abstract")
- __repr__ = _swig_repr
- __swig_destroy__ = _libBornAgainSample.delete_ILayout
-
- def clone(self):
- r"""
- clone(ILayout self) -> ILayout
- virtual ILayout* ILayout::clone() const =0
-
- Returns a clone of this ISample object.
-
- """
- return _libBornAgainSample.ILayout_clone(self)
-
- def accept(self, visitor):
- r"""
- accept(ILayout self, INodeVisitor * visitor)
- virtual void ILayout::accept(INodeVisitor *visitor) const =0
-
- """
- return _libBornAgainSample.ILayout_accept(self, visitor)
-
- def particles(self):
- r"""
- particles(ILayout self) -> SafePointerVector< IParticle >
- virtual SafePointerVector<IParticle> ILayout::particles() const =0
-
- Returns information on all particles (type and abundance) and generates new particles if an IAbstractParticle denotes a collection
-
- """
- return _libBornAgainSample.ILayout_particles(self)
-
- def interferenceFunction(self):
- r"""
- interferenceFunction(ILayout self) -> IInterferenceFunction
- virtual const IInterferenceFunction* ILayout::interferenceFunction() const =0
-
- Returns the interference function.
-
- """
- return _libBornAgainSample.ILayout_interferenceFunction(self)
-
- def getTotalAbundance(self):
- r"""
- getTotalAbundance(ILayout self) -> double
- virtual double ILayout::getTotalAbundance() const =0
-
- Get total abundance of all particles.
-
- """
- return _libBornAgainSample.ILayout_getTotalAbundance(self)
-
- def totalParticleSurfaceDensity(self):
- r"""
- totalParticleSurfaceDensity(ILayout self) -> double
- virtual double ILayout::totalParticleSurfaceDensity() const =0
-
- Returns surface density of all particles.
-
- """
- return _libBornAgainSample.ILayout_totalParticleSurfaceDensity(self)
-
- def setTotalParticleSurfaceDensity(self, particle_density):
- r"""
- setTotalParticleSurfaceDensity(ILayout self, double particle_density)
- virtual void ILayout::setTotalParticleSurfaceDensity(double particle_density)=0
-
- Sets surface density of all particles.
-
- """
- return _libBornAgainSample.ILayout_setTotalParticleSurfaceDensity(self, particle_density)
-
- def weight(self):
- r"""
- weight(ILayout self) -> double
- double ILayout::weight() const
-
- Returns the relative weight of this layout.
-
- """
- return _libBornAgainSample.ILayout_weight(self)
-
- def setWeight(self, weight):
- r"""
- setWeight(ILayout self, double weight)
- void ILayout::setWeight(double weight)
-
- Sets the relative weight of this layout.
-
- """
- return _libBornAgainSample.ILayout_setWeight(self, weight)
-
-# Register ILayout in _libBornAgainSample:
-_libBornAgainSample.ILayout_swigregister(ILayout)
-
class IPeakShape(ISample):
r"""
@@ -7098,16 +6934,6 @@ class InterferenceFunction2DLattice(IInterferenceFunction):
"""
return _libBornAgainSample.InterferenceFunction2DLattice_accept(self, visitor)
- @staticmethod
- def createSquare(lattice_length, xi):
- r"""createSquare(double lattice_length, double xi) -> InterferenceFunction2DLattice"""
- return _libBornAgainSample.InterferenceFunction2DLattice_createSquare(lattice_length, xi)
-
- @staticmethod
- def createHexagonal(lattice_length, xi):
- r"""createHexagonal(double lattice_length, double xi) -> InterferenceFunction2DLattice"""
- return _libBornAgainSample.InterferenceFunction2DLattice_createHexagonal(lattice_length, xi)
-
def setDecayFunction(self, decay):
r"""
setDecayFunction(InterferenceFunction2DLattice self, IFTDecayFunction2D decay)
@@ -7177,14 +7003,6 @@ class InterferenceFunction2DLattice(IInterferenceFunction):
# Register InterferenceFunction2DLattice in _libBornAgainSample:
_libBornAgainSample.InterferenceFunction2DLattice_swigregister(InterferenceFunction2DLattice)
-def InterferenceFunction2DLattice_createSquare(lattice_length, xi):
- r"""InterferenceFunction2DLattice_createSquare(double lattice_length, double xi) -> InterferenceFunction2DLattice"""
- return _libBornAgainSample.InterferenceFunction2DLattice_createSquare(lattice_length, xi)
-
-def InterferenceFunction2DLattice_createHexagonal(lattice_length, xi):
- r"""InterferenceFunction2DLattice_createHexagonal(double lattice_length, double xi) -> InterferenceFunction2DLattice"""
- return _libBornAgainSample.InterferenceFunction2DLattice_createHexagonal(lattice_length, xi)
-
class InterferenceFunction2DParaCrystal(IInterferenceFunction):
r"""
@@ -7246,16 +7064,6 @@ class InterferenceFunction2DParaCrystal(IInterferenceFunction):
"""
return _libBornAgainSample.InterferenceFunction2DParaCrystal_accept(self, visitor)
- @staticmethod
- def createSquare(lattice_length, damping_length, domain_size_1, domain_size_2):
- r"""createSquare(double lattice_length, double damping_length, double domain_size_1, double domain_size_2) -> InterferenceFunction2DParaCrystal"""
- return _libBornAgainSample.InterferenceFunction2DParaCrystal_createSquare(lattice_length, damping_length, domain_size_1, domain_size_2)
-
- @staticmethod
- def createHexagonal(lattice_length, damping_length, domain_size_1, domain_size_2):
- r"""createHexagonal(double lattice_length, double damping_length, double domain_size_1, double domain_size_2) -> InterferenceFunction2DParaCrystal"""
- return _libBornAgainSample.InterferenceFunction2DParaCrystal_createHexagonal(lattice_length, damping_length, domain_size_1, domain_size_2)
-
def setDomainSizes(self, size_1, size_2):
r"""
setDomainSizes(InterferenceFunction2DParaCrystal self, double size_1, double size_2)
@@ -7395,14 +7203,6 @@ class InterferenceFunction2DParaCrystal(IInterferenceFunction):
# Register InterferenceFunction2DParaCrystal in _libBornAgainSample:
_libBornAgainSample.InterferenceFunction2DParaCrystal_swigregister(InterferenceFunction2DParaCrystal)
-def InterferenceFunction2DParaCrystal_createSquare(lattice_length, damping_length, domain_size_1, domain_size_2):
- r"""InterferenceFunction2DParaCrystal_createSquare(double lattice_length, double damping_length, double domain_size_1, double domain_size_2) -> InterferenceFunction2DParaCrystal"""
- return _libBornAgainSample.InterferenceFunction2DParaCrystal_createSquare(lattice_length, damping_length, domain_size_1, domain_size_2)
-
-def InterferenceFunction2DParaCrystal_createHexagonal(lattice_length, damping_length, domain_size_1, domain_size_2):
- r"""InterferenceFunction2DParaCrystal_createHexagonal(double lattice_length, double damping_length, double domain_size_1, double domain_size_2) -> InterferenceFunction2DParaCrystal"""
- return _libBornAgainSample.InterferenceFunction2DParaCrystal_createHexagonal(lattice_length, damping_length, domain_size_1, domain_size_2)
-
class InterferenceFunction2DSuperLattice(IInterferenceFunction):
r"""
@@ -7483,16 +7283,6 @@ class InterferenceFunction2DSuperLattice(IInterferenceFunction):
"""
return _libBornAgainSample.InterferenceFunction2DSuperLattice_substructureIFF(self)
- @staticmethod
- def createSquare(lattice_length, xi, size_1, size_2):
- r"""createSquare(double lattice_length, double xi, unsigned int size_1, unsigned int size_2) -> InterferenceFunction2DSuperLattice"""
- return _libBornAgainSample.InterferenceFunction2DSuperLattice_createSquare(lattice_length, xi, size_1, size_2)
-
- @staticmethod
- def createHexagonal(lattice_length, xi, size_1, size_2):
- r"""createHexagonal(double lattice_length, double xi, unsigned int size_1, unsigned int size_2) -> InterferenceFunction2DSuperLattice"""
- return _libBornAgainSample.InterferenceFunction2DSuperLattice_createHexagonal(lattice_length, xi, size_1, size_2)
-
def evaluate(self, q, outer_iff=1.0):
r"""
evaluate(InterferenceFunction2DSuperLattice self, kvector_t q, double outer_iff=1.0) -> double
@@ -7554,14 +7344,6 @@ class InterferenceFunction2DSuperLattice(IInterferenceFunction):
# Register InterferenceFunction2DSuperLattice in _libBornAgainSample:
_libBornAgainSample.InterferenceFunction2DSuperLattice_swigregister(InterferenceFunction2DSuperLattice)
-def InterferenceFunction2DSuperLattice_createSquare(lattice_length, xi, size_1, size_2):
- r"""InterferenceFunction2DSuperLattice_createSquare(double lattice_length, double xi, unsigned int size_1, unsigned int size_2) -> InterferenceFunction2DSuperLattice"""
- return _libBornAgainSample.InterferenceFunction2DSuperLattice_createSquare(lattice_length, xi, size_1, size_2)
-
-def InterferenceFunction2DSuperLattice_createHexagonal(lattice_length, xi, size_1, size_2):
- r"""InterferenceFunction2DSuperLattice_createHexagonal(double lattice_length, double xi, unsigned int size_1, unsigned int size_2) -> InterferenceFunction2DSuperLattice"""
- return _libBornAgainSample.InterferenceFunction2DSuperLattice_createHexagonal(lattice_length, xi, size_1, size_2)
-
class InterferenceFunction3DLattice(IInterferenceFunction):
r"""
@@ -7577,8 +7359,8 @@ class InterferenceFunction3DLattice(IInterferenceFunction):
def __init__(self, lattice):
r"""
- __init__(InterferenceFunction3DLattice self, Lattice lattice) -> InterferenceFunction3DLattice
- InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice &lattice)
+ __init__(InterferenceFunction3DLattice self, Lattice3D lattice) -> InterferenceFunction3DLattice
+ InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice3D &lattice)
"""
_libBornAgainSample.InterferenceFunction3DLattice_swiginit(self, _libBornAgainSample.new_InterferenceFunction3DLattice(lattice))
@@ -7612,8 +7394,8 @@ class InterferenceFunction3DLattice(IInterferenceFunction):
def lattice(self):
r"""
- lattice(InterferenceFunction3DLattice self) -> Lattice
- const Lattice & InterferenceFunction3DLattice::lattice() const
+ lattice(InterferenceFunction3DLattice self) -> Lattice3D
+ const Lattice3D & InterferenceFunction3DLattice::lattice() const
"""
return _libBornAgainSample.InterferenceFunction3DLattice_lattice(self)
@@ -7711,16 +7493,6 @@ class InterferenceFunctionFinite2DLattice(IInterferenceFunction):
"""
return _libBornAgainSample.InterferenceFunctionFinite2DLattice_accept(self, visitor)
- @staticmethod
- def createSquare(lattice_length, xi, N_1, N_2):
- r"""createSquare(double lattice_length, double xi, unsigned int N_1, unsigned int N_2) -> InterferenceFunctionFinite2DLattice"""
- return _libBornAgainSample.InterferenceFunctionFinite2DLattice_createSquare(lattice_length, xi, N_1, N_2)
-
- @staticmethod
- def createHexagonal(lattice_length, xi, N_1, N_2):
- r"""createHexagonal(double lattice_length, double xi, unsigned int N_1, unsigned int N_2) -> InterferenceFunctionFinite2DLattice"""
- return _libBornAgainSample.InterferenceFunctionFinite2DLattice_createHexagonal(lattice_length, xi, N_1, N_2)
-
def numberUnitCells1(self):
r"""
numberUnitCells1(InterferenceFunctionFinite2DLattice self) -> unsigned int
@@ -7782,14 +7554,6 @@ class InterferenceFunctionFinite2DLattice(IInterferenceFunction):
# Register InterferenceFunctionFinite2DLattice in _libBornAgainSample:
_libBornAgainSample.InterferenceFunctionFinite2DLattice_swigregister(InterferenceFunctionFinite2DLattice)
-def InterferenceFunctionFinite2DLattice_createSquare(lattice_length, xi, N_1, N_2):
- r"""InterferenceFunctionFinite2DLattice_createSquare(double lattice_length, double xi, unsigned int N_1, unsigned int N_2) -> InterferenceFunctionFinite2DLattice"""
- return _libBornAgainSample.InterferenceFunctionFinite2DLattice_createSquare(lattice_length, xi, N_1, N_2)
-
-def InterferenceFunctionFinite2DLattice_createHexagonal(lattice_length, xi, N_1, N_2):
- r"""InterferenceFunctionFinite2DLattice_createHexagonal(double lattice_length, double xi, unsigned int N_1, unsigned int N_2) -> InterferenceFunctionFinite2DLattice"""
- return _libBornAgainSample.InterferenceFunctionFinite2DLattice_createHexagonal(lattice_length, xi, N_1, N_2)
-
class InterferenceFunctionFinite3DLattice(IInterferenceFunction):
r"""
@@ -7805,8 +7569,8 @@ class InterferenceFunctionFinite3DLattice(IInterferenceFunction):
def __init__(self, lattice, N_1, N_2, N_3):
r"""
- __init__(InterferenceFunctionFinite3DLattice self, Lattice lattice, unsigned int N_1, unsigned int N_2, unsigned int N_3) -> InterferenceFunctionFinite3DLattice
- InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice &lattice, unsigned N_1, unsigned N_2, unsigned N_3)
+ __init__(InterferenceFunctionFinite3DLattice self, Lattice3D lattice, unsigned int N_1, unsigned int N_2, unsigned int N_3) -> InterferenceFunctionFinite3DLattice
+ InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice3D &lattice, unsigned N_1, unsigned N_2, unsigned N_3)
"""
_libBornAgainSample.InterferenceFunctionFinite3DLattice_swiginit(self, _libBornAgainSample.new_InterferenceFunctionFinite3DLattice(lattice, N_1, N_2, N_3))
@@ -7856,8 +7620,8 @@ class InterferenceFunctionFinite3DLattice(IInterferenceFunction):
def lattice(self):
r"""
- lattice(InterferenceFunctionFinite3DLattice self) -> Lattice
- const Lattice & InterferenceFunctionFinite3DLattice::lattice() const
+ lattice(InterferenceFunctionFinite3DLattice self) -> Lattice3D
+ const Lattice3D & InterferenceFunctionFinite3DLattice::lattice() const
"""
return _libBornAgainSample.InterferenceFunctionFinite3DLattice_lattice(self)
@@ -8216,7 +7980,7 @@ class InterferenceFunctionTwin(IInterferenceFunction):
# Register InterferenceFunctionTwin in _libBornAgainSample:
_libBornAgainSample.InterferenceFunctionTwin_swigregister(InterferenceFunctionTwin)
-class ParticleLayout(ILayout):
+class ParticleLayout(ISample):
r"""
@@ -8242,7 +8006,7 @@ class ParticleLayout(ILayout):
def clone(self):
r"""
clone(ParticleLayout self) -> ParticleLayout
- ParticleLayout * ParticleLayout::clone() const final override
+ ParticleLayout * ParticleLayout::clone() const override
Returns a clone of this ISample object.
@@ -8252,7 +8016,7 @@ class ParticleLayout(ILayout):
def accept(self, visitor):
r"""
accept(ParticleLayout self, INodeVisitor * visitor)
- void ParticleLayout::accept(INodeVisitor *visitor) const final override
+ void ParticleLayout::accept(INodeVisitor *visitor) const override
"""
return _libBornAgainSample.ParticleLayout_accept(self, visitor)
@@ -8285,7 +8049,7 @@ class ParticleLayout(ILayout):
def particles(self):
r"""
particles(ParticleLayout self) -> SafePointerVector< IParticle >
- SafePointerVector< IParticle > ParticleLayout::particles() const final override
+ SafePointerVector< IParticle > ParticleLayout::particles() const
Returns information on all particles (type and abundance) and generates new particles if an IAbstractParticle denotes a collection
@@ -8295,9 +8059,7 @@ class ParticleLayout(ILayout):
def interferenceFunction(self):
r"""
interferenceFunction(ParticleLayout self) -> IInterferenceFunction
- const IInterferenceFunction * ParticleLayout::interferenceFunction() const final override
-
- Returns the interference function.
+ const IInterferenceFunction * ParticleLayout::interferenceFunction() const
"""
return _libBornAgainSample.ParticleLayout_interferenceFunction(self)
@@ -8305,9 +8067,7 @@ class ParticleLayout(ILayout):
def getTotalAbundance(self):
r"""
getTotalAbundance(ParticleLayout self) -> double
- double ParticleLayout::getTotalAbundance() const final override
-
- Get total abundance of all particles.
+ double ParticleLayout::getTotalAbundance() const
"""
return _libBornAgainSample.ParticleLayout_getTotalAbundance(self)
@@ -8325,9 +8085,7 @@ class ParticleLayout(ILayout):
def totalParticleSurfaceDensity(self):
r"""
totalParticleSurfaceDensity(ParticleLayout self) -> double
- double ParticleLayout::totalParticleSurfaceDensity() const final override
-
- Returns surface density of all particles.
+ double ParticleLayout::totalParticleSurfaceDensity() const
"""
return _libBornAgainSample.ParticleLayout_totalParticleSurfaceDensity(self)
@@ -8335,7 +8093,7 @@ class ParticleLayout(ILayout):
def setTotalParticleSurfaceDensity(self, particle_density):
r"""
setTotalParticleSurfaceDensity(ParticleLayout self, double particle_density)
- void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density) final override
+ void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density)
Sets total particle surface density.
@@ -8351,11 +8109,31 @@ class ParticleLayout(ILayout):
def getChildren(self):
r"""
getChildren(ParticleLayout self) -> swig_dummy_type_const_inode_vector
- std::vector< const INode * > ParticleLayout::getChildren() const final override
+ std::vector< const INode * > ParticleLayout::getChildren() const override
"""
return _libBornAgainSample.ParticleLayout_getChildren(self)
+ def weight(self):
+ r"""
+ weight(ParticleLayout self) -> double
+ double ParticleLayout::weight() const
+
+ Returns the relative weight of this layout.
+
+ """
+ return _libBornAgainSample.ParticleLayout_weight(self)
+
+ def setWeight(self, weight):
+ r"""
+ setWeight(ParticleLayout self, double weight)
+ void ParticleLayout::setWeight(double weight)
+
+ Sets the relative weight of this layout.
+
+ """
+ return _libBornAgainSample.ParticleLayout_setWeight(self, weight)
+
# Register ParticleLayout in _libBornAgainSample:
_libBornAgainSample.ParticleLayout_swigregister(ParticleLayout)
@@ -8448,8 +8226,8 @@ class Layer(ISample):
def addLayout(self, decoration):
r"""
- addLayout(Layer self, ILayout decoration)
- void Layer::addLayout(const ILayout &decoration)
+ addLayout(Layer self, ParticleLayout decoration)
+ void Layer::addLayout(const ParticleLayout &decoration)
"""
return _libBornAgainSample.Layer_addLayout(self, decoration)
@@ -8464,8 +8242,8 @@ class Layer(ISample):
def layouts(self):
r"""
- layouts(Layer self) -> std::vector< ILayout const *,std::allocator< ILayout const * > >
- std::vector< const ILayout * > Layer::layouts() const
+ layouts(Layer self) -> std::vector< ParticleLayout const *,std::allocator< ParticleLayout const * > >
+ std::vector< const ParticleLayout * > Layer::layouts() const
"""
return _libBornAgainSample.Layer_layouts(self)
@@ -11381,135 +11159,6 @@ class FormFactorSphereLogNormalRadius(IFormFactorBorn):
# Register FormFactorSphereLogNormalRadius in _libBornAgainSample:
_libBornAgainSample.FormFactorSphereLogNormalRadius_swigregister(FormFactorSphereLogNormalRadius)
-class ILatticeOrientation(object):
- r"""
-
-
- Pure virtual base of classes that specify a lattice orientation. Currently only inherited by MillerIndexOrientation.
-
- C++ includes: ILatticeOrientation.h
-
- """
-
- thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
-
- def __init__(self, *args, **kwargs):
- raise AttributeError("No constructor defined - class is abstract")
- __repr__ = _swig_repr
- __swig_destroy__ = _libBornAgainSample.delete_ILatticeOrientation
-
- def clone(self):
- r"""
- clone(ILatticeOrientation self) -> ILatticeOrientation
- virtual ILatticeOrientation* ILatticeOrientation::clone() const =0
-
- """
- return _libBornAgainSample.ILatticeOrientation_clone(self)
-
- def usePrimitiveLattice(self, lattice):
- r"""
- usePrimitiveLattice(ILatticeOrientation self, Lattice lattice)
- virtual void ILatticeOrientation::usePrimitiveLattice(const Lattice &lattice)=0
-
- """
- return _libBornAgainSample.ILatticeOrientation_usePrimitiveLattice(self, lattice)
-
- def transformation(self):
- r"""
- transformation(ILatticeOrientation self) -> Transform3D
- virtual Transform3D ILatticeOrientation::transformation() const =0
-
- """
- return _libBornAgainSample.ILatticeOrientation_transformation(self)
-
-# Register ILatticeOrientation in _libBornAgainSample:
-_libBornAgainSample.ILatticeOrientation_swigregister(ILatticeOrientation)
-
-class MillerIndex(object):
- r"""
-
-
- A direction in reciprocal space, specified by double-valued indices hkl.
-
- C++ includes: ILatticeOrientation.h
-
- """
-
- thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
- __repr__ = _swig_repr
-
- def __init__(self, h_, k_, l_):
- r"""
- __init__(MillerIndex self, double h_, double k_, double l_) -> MillerIndex
- MillerIndex::MillerIndex(double h_, double k_, double l_)
-
- """
- _libBornAgainSample.MillerIndex_swiginit(self, _libBornAgainSample.new_MillerIndex(h_, k_, l_))
- h = property(_libBornAgainSample.MillerIndex_h_get, _libBornAgainSample.MillerIndex_h_set, doc=r"""h : double""")
- k = property(_libBornAgainSample.MillerIndex_k_get, _libBornAgainSample.MillerIndex_k_set, doc=r"""k : double""")
- l = property(_libBornAgainSample.MillerIndex_l_get, _libBornAgainSample.MillerIndex_l_set, doc=r"""l : double""")
- __swig_destroy__ = _libBornAgainSample.delete_MillerIndex
-
-# Register MillerIndex in _libBornAgainSample:
-_libBornAgainSample.MillerIndex_swigregister(MillerIndex)
-
-class MillerIndexOrientation(ILatticeOrientation):
- r"""
-
-
- Specifies a rotation of a lattice through the Miller indices of two coordinate axes.
-
- C++ includes: ILatticeOrientation.h
-
- """
-
- thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
- __repr__ = _swig_repr
- QX = _libBornAgainSample.MillerIndexOrientation_QX
-
- QY = _libBornAgainSample.MillerIndexOrientation_QY
-
- QZ = _libBornAgainSample.MillerIndexOrientation_QZ
-
-
- def __init__(self, q1, index1, q2, index2):
- r"""
- __init__(MillerIndexOrientation self, MillerIndexOrientation::QComponent q1, MillerIndex index1, MillerIndexOrientation::QComponent q2, MillerIndex index2) -> MillerIndexOrientation
- MillerIndexOrientation::MillerIndexOrientation(QComponent q1, MillerIndex index1, QComponent q2, MillerIndex index2)
-
- This constructor is best explained by an example. Arguments QX, (1,1,0), QY, (0,2,1) mean: Rotate the lattice such that the axis [110] points into x direction, and the axis [021], projected into the yz plane, points into z direction.
-
- """
- _libBornAgainSample.MillerIndexOrientation_swiginit(self, _libBornAgainSample.new_MillerIndexOrientation(q1, index1, q2, index2))
- __swig_destroy__ = _libBornAgainSample.delete_MillerIndexOrientation
-
- def clone(self):
- r"""
- clone(MillerIndexOrientation self) -> MillerIndexOrientation
- MillerIndexOrientation * MillerIndexOrientation::clone() const override
-
- """
- return _libBornAgainSample.MillerIndexOrientation_clone(self)
-
- def usePrimitiveLattice(self, lattice):
- r"""
- usePrimitiveLattice(MillerIndexOrientation self, Lattice lattice)
- void MillerIndexOrientation::usePrimitiveLattice(const Lattice &lattice) override
-
- """
- return _libBornAgainSample.MillerIndexOrientation_usePrimitiveLattice(self, lattice)
-
- def transformation(self):
- r"""
- transformation(MillerIndexOrientation self) -> Transform3D
- Transform3D MillerIndexOrientation::transformation() const override
-
- """
- return _libBornAgainSample.MillerIndexOrientation_transformation(self)
-
-# Register MillerIndexOrientation in _libBornAgainSample:
-_libBornAgainSample.MillerIndexOrientation_swigregister(MillerIndexOrientation)
-
class ISelectionRule(object):
r"""
@@ -11587,13 +11236,13 @@ class SimpleSelectionRule(ISelectionRule):
# Register SimpleSelectionRule in _libBornAgainSample:
_libBornAgainSample.SimpleSelectionRule_swigregister(SimpleSelectionRule)
-class Lattice(libBornAgainParam.INode):
+class Lattice3D(libBornAgainParam.INode):
r"""
- A lattice with three basis vectors.
+ A Bravais lattice, characterized by three basis vectors, and optionally an ISelectionRule.
- C++ includes: Lattice.h
+ C++ includes: Lattice3D.h
"""
@@ -11602,217 +11251,138 @@ class Lattice(libBornAgainParam.INode):
def __init__(self, *args):
r"""
- __init__(Lattice self) -> Lattice
- __init__(Lattice self, kvector_t a1, kvector_t a2, kvector_t a3) -> Lattice
- __init__(Lattice self, Lattice lattice) -> Lattice
- Lattice::Lattice(const Lattice &lattice)
+ __init__(Lattice3D self, kvector_t a, kvector_t b, kvector_t c) -> Lattice3D
+ __init__(Lattice3D self, Lattice3D lattice) -> Lattice3D
+ Lattice3D::Lattice3D(const Lattice3D &lattice)
"""
- _libBornAgainSample.Lattice_swiginit(self, _libBornAgainSample.new_Lattice(*args))
- __swig_destroy__ = _libBornAgainSample.delete_Lattice
+ _libBornAgainSample.Lattice3D_swiginit(self, _libBornAgainSample.new_Lattice3D(*args))
+ __swig_destroy__ = _libBornAgainSample.delete_Lattice3D
def accept(self, visitor):
r"""
- accept(Lattice self, INodeVisitor * visitor)
- void Lattice::accept(INodeVisitor *visitor) const override
+ accept(Lattice3D self, INodeVisitor * visitor)
+ void Lattice3D::accept(INodeVisitor *visitor) const override
"""
- return _libBornAgainSample.Lattice_accept(self, visitor)
+ return _libBornAgainSample.Lattice3D_accept(self, visitor)
def transformed(self, transform):
r"""
- transformed(Lattice self, Transform3D const & transform) -> Lattice
- Lattice Lattice::transformed(const Transform3D &transform) const
+ transformed(Lattice3D self, Transform3D const & transform) -> Lattice3D
+ Lattice3D Lattice3D::transformed(const Transform3D &transform) const
Creates transformed lattice.
"""
- return _libBornAgainSample.Lattice_transformed(self, transform)
+ return _libBornAgainSample.Lattice3D_transformed(self, transform)
def initialize(self):
r"""
- initialize(Lattice self)
- void Lattice::initialize() const
+ initialize(Lattice3D self)
+ void Lattice3D::initialize()
Initializes cached data.
"""
- return _libBornAgainSample.Lattice_initialize(self)
+ return _libBornAgainSample.Lattice3D_initialize(self)
def getBasisVectorA(self):
r"""
- getBasisVectorA(Lattice self) -> kvector_t
- kvector_t Lattice::getBasisVectorA() const
+ getBasisVectorA(Lattice3D self) -> kvector_t
+ kvector_t Lattice3D::getBasisVectorA() const
Returns basis vector a.
"""
- return _libBornAgainSample.Lattice_getBasisVectorA(self)
+ return _libBornAgainSample.Lattice3D_getBasisVectorA(self)
def getBasisVectorB(self):
r"""
- getBasisVectorB(Lattice self) -> kvector_t
- kvector_t Lattice::getBasisVectorB() const
+ getBasisVectorB(Lattice3D self) -> kvector_t
+ kvector_t Lattice3D::getBasisVectorB() const
Returns basis vector b.
"""
- return _libBornAgainSample.Lattice_getBasisVectorB(self)
+ return _libBornAgainSample.Lattice3D_getBasisVectorB(self)
def getBasisVectorC(self):
r"""
- getBasisVectorC(Lattice self) -> kvector_t
- kvector_t Lattice::getBasisVectorC() const
+ getBasisVectorC(Lattice3D self) -> kvector_t
+ kvector_t Lattice3D::getBasisVectorC() const
Returns basis vector c.
"""
- return _libBornAgainSample.Lattice_getBasisVectorC(self)
-
- def resetBasis(self, a1, a2, a3):
- r"""
- resetBasis(Lattice self, kvector_t a1, kvector_t a2, kvector_t a3)
- void Lattice::resetBasis(const kvector_t a1, const kvector_t a2, const kvector_t a3)
-
- Resets the basis vectors.
-
- """
- return _libBornAgainSample.Lattice_resetBasis(self, a1, a2, a3)
+ return _libBornAgainSample.Lattice3D_getBasisVectorC(self)
def getMillerDirection(self, h, k, l):
r"""
- getMillerDirection(Lattice self, double h, double k, double l) -> kvector_t
- kvector_t Lattice::getMillerDirection(double h, double k, double l) const
+ getMillerDirection(Lattice3D self, double h, double k, double l) -> kvector_t
+ kvector_t Lattice3D::getMillerDirection(double h, double k, double l) const
+
+ Returns normalized direction corresponding to the given Miller indices.
- Returns normalized direction corresponding to the given Miller indices.
+ Currently unused but may be useful for checks.
"""
- return _libBornAgainSample.Lattice_getMillerDirection(self, h, k, l)
+ return _libBornAgainSample.Lattice3D_getMillerDirection(self, h, k, l)
- def volume(self):
+ def unitCellVolume(self):
r"""
- volume(Lattice self) -> double
- double Lattice::volume() const
+ unitCellVolume(Lattice3D self) -> double
+ double Lattice3D::unitCellVolume() const
Returns the volume of the unit cell.
"""
- return _libBornAgainSample.Lattice_volume(self)
+ return _libBornAgainSample.Lattice3D_unitCellVolume(self)
- def getReciprocalLatticeBasis(self, b1, b2, b3):
+ def getReciprocalLatticeBasis(self, ra, rb, rc):
r"""
- getReciprocalLatticeBasis(Lattice self, kvector_t b1, kvector_t b2, kvector_t b3)
- void Lattice::getReciprocalLatticeBasis(kvector_t &b1, kvector_t &b2, kvector_t &b3) const
-
- Returns the reciprocal basis vectors.
+ getReciprocalLatticeBasis(Lattice3D self, kvector_t ra, kvector_t rb, kvector_t rc)
+ void Lattice3D::getReciprocalLatticeBasis(kvector_t &ra, kvector_t &rb, kvector_t &rc) const
- """
- return _libBornAgainSample.Lattice_getReciprocalLatticeBasis(self, b1, b2, b3)
+ Returns the reciprocal basis vectors.
- def getNearestLatticeVectorCoordinates(self, vector_in):
- r"""
- getNearestLatticeVectorCoordinates(Lattice self, kvector_t vector_in) -> ivector_t
- ivector_t Lattice::getNearestLatticeVectorCoordinates(const kvector_t vector_in) const
-
- Returns the nearest lattice point from a given vector.
+ Currently only used in tests.
"""
- return _libBornAgainSample.Lattice_getNearestLatticeVectorCoordinates(self, vector_in)
+ return _libBornAgainSample.Lattice3D_getReciprocalLatticeBasis(self, ra, rb, rc)
- def getNearestReciprocalLatticeVectorCoordinates(self, vector_in):
+ def getNearestReciprocalLatticeVectorCoordinates(self, q):
r"""
- getNearestReciprocalLatticeVectorCoordinates(Lattice self, kvector_t vector_in) -> ivector_t
- ivector_t Lattice::getNearestReciprocalLatticeVectorCoordinates(const kvector_t vector_in) const
+ getNearestReciprocalLatticeVectorCoordinates(Lattice3D self, kvector_t q) -> ivector_t
+ ivector_t Lattice3D::getNearestReciprocalLatticeVectorCoordinates(const kvector_t q) const
Returns the nearest reciprocal lattice point from a given vector.
"""
- return _libBornAgainSample.Lattice_getNearestReciprocalLatticeVectorCoordinates(self, vector_in)
+ return _libBornAgainSample.Lattice3D_getNearestReciprocalLatticeVectorCoordinates(self, q)
- def reciprocalLatticeVectorsWithinRadius(self, input_vector, radius):
+ def reciprocalLatticeVectorsWithinRadius(self, q, dq):
r"""
- reciprocalLatticeVectorsWithinRadius(Lattice self, kvector_t input_vector, double radius) -> vector_kvector_t
- std::vector< kvector_t > Lattice::reciprocalLatticeVectorsWithinRadius(const kvector_t input_vector, double radius) const
+ reciprocalLatticeVectorsWithinRadius(Lattice3D self, kvector_t q, double dq) -> vector_kvector_t
+ std::vector< kvector_t > Lattice3D::reciprocalLatticeVectorsWithinRadius(const kvector_t q, double dq) const
- Computes a list of reciprocal lattice vectors within a specified distance of a given vector.
+ Returns a list of reciprocal lattice vectors within distance dq of a vector q.
"""
- return _libBornAgainSample.Lattice_reciprocalLatticeVectorsWithinRadius(self, input_vector, radius)
+ return _libBornAgainSample.Lattice3D_reciprocalLatticeVectorsWithinRadius(self, q, dq)
- def setSelectionRule(self, p_selection_rule):
+ def setSelectionRule(self, selection_rule):
r"""
- setSelectionRule(Lattice self, ISelectionRule p_selection_rule)
- void Lattice::setSelectionRule(const ISelectionRule &p_selection_rule)
+ setSelectionRule(Lattice3D self, ISelectionRule selection_rule)
+ void Lattice3D::setSelectionRule(const ISelectionRule &selection_rule)
Sets a selection rule for the reciprocal vectors.
"""
- return _libBornAgainSample.Lattice_setSelectionRule(self, p_selection_rule)
-
- @staticmethod
- def createCubicLattice(a):
- r"""createCubicLattice(double a) -> Lattice"""
- return _libBornAgainSample.Lattice_createCubicLattice(a)
-
- @staticmethod
- def createFCCLattice(a):
- r"""createFCCLattice(double a) -> Lattice"""
- return _libBornAgainSample.Lattice_createFCCLattice(a)
-
- @staticmethod
- def createHexagonalLattice(a, c):
- r"""createHexagonalLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createHexagonalLattice(a, c)
-
- @staticmethod
- def createHCPLattice(a, c):
- r"""createHCPLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createHCPLattice(a, c)
-
- @staticmethod
- def createTetragonalLattice(a, c):
- r"""createTetragonalLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createTetragonalLattice(a, c)
-
- @staticmethod
- def createBCTLattice(a, c):
- r"""createBCTLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createBCTLattice(a, c)
-
- def onChange(self):
- r"""
- onChange(Lattice self)
- void Lattice::onChange() override
-
- """
- return _libBornAgainSample.Lattice_onChange(self)
-
-# Register Lattice in _libBornAgainSample:
-_libBornAgainSample.Lattice_swigregister(Lattice)
-
-def Lattice_createCubicLattice(a):
- r"""Lattice_createCubicLattice(double a) -> Lattice"""
- return _libBornAgainSample.Lattice_createCubicLattice(a)
-
-def Lattice_createFCCLattice(a):
- r"""Lattice_createFCCLattice(double a) -> Lattice"""
- return _libBornAgainSample.Lattice_createFCCLattice(a)
+ return _libBornAgainSample.Lattice3D_setSelectionRule(self, selection_rule)
-def Lattice_createHexagonalLattice(a, c):
- r"""Lattice_createHexagonalLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createHexagonalLattice(a, c)
-
-def Lattice_createHCPLattice(a, c):
- r"""Lattice_createHCPLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createHCPLattice(a, c)
-
-def Lattice_createTetragonalLattice(a, c):
- r"""Lattice_createTetragonalLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createTetragonalLattice(a, c)
-
-def Lattice_createBCTLattice(a, c):
- r"""Lattice_createBCTLattice(double a, double c) -> Lattice"""
- return _libBornAgainSample.Lattice_createBCTLattice(a, c)
+# Register Lattice3D in _libBornAgainSample:
+_libBornAgainSample.Lattice3D_swigregister(Lattice3D)
class Lattice2D(libBornAgainBase.ICloneable, libBornAgainParam.INode):
r"""Proxy of C++ Lattice2D class."""
@@ -12090,29 +11660,65 @@ class HexagonalLattice(Lattice2D):
_libBornAgainSample.HexagonalLattice_swigregister(HexagonalLattice)
-def createFCCLattice(lattice_constant, orientation):
+def createCubicLattice(a):
+ r"""
+ createCubicLattice(double a) -> Lattice3D
+ Lattice3D bake::createCubicLattice(double a)
+
+ Returns a primitive cubic (cP) lattice with edge length a.
+
+ """
+ return _libBornAgainSample.createCubicLattice(a)
+
+def createFCCLattice(a):
r"""
- createFCCLattice(double lattice_constant, ILatticeOrientation orientation) -> Lattice
- Lattice LatticeUtils::createFCCLattice(double lattice_constant, const ILatticeOrientation &orientation)
+ createFCCLattice(double a) -> Lattice3D
+ Lattice3D bake::createFCCLattice(double a)
+
+ Returns a face-centered cubic (cF) lattice with edge length a.
"""
- return _libBornAgainSample.createFCCLattice(lattice_constant, orientation)
+ return _libBornAgainSample.createFCCLattice(a)
-def createHCPLattice(a, c, orientation):
+def createHexagonalLattice(a, c):
r"""
- createHCPLattice(double a, double c, ILatticeOrientation orientation) -> Lattice
- Lattice LatticeUtils::createHCPLattice(double a, double c, const ILatticeOrientation &orientation)
+ createHexagonalLattice(double a, double c) -> Lattice3D
+ Lattice3D bake::createHexagonalLattice(double a, double c)
+
+ Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c.
"""
- return _libBornAgainSample.createHCPLattice(a, c, orientation)
+ return _libBornAgainSample.createHexagonalLattice(a, c)
-def createBCTLattice(a, c, orientation):
+def createHCPLattice(a, c):
r"""
- createBCTLattice(double a, double c, ILatticeOrientation orientation) -> Lattice
- Lattice LatticeUtils::createBCTLattice(double a, double c, const ILatticeOrientation &orientation)
+ createHCPLattice(double a, double c) -> Lattice3D
+ Lattice3D bake::createHCPLattice(double a, double c)
+
+ TODO: Clarify how this is meant: HCP is not a Bravais lattice.
+
+ """
+ return _libBornAgainSample.createHCPLattice(a, c)
+
+def createTetragonalLattice(a, c):
+ r"""
+ createTetragonalLattice(double a, double c) -> Lattice3D
+ Lattice3D bake::createTetragonalLattice(double a, double c)
+
+ Returns a primitive tetragonal (tP) lattice with square base edge a and height c.
+
+ """
+ return _libBornAgainSample.createTetragonalLattice(a, c)
+
+def createBCTLattice(a, c):
+ r"""
+ createBCTLattice(double a, double c) -> Lattice3D
+ Lattice3D bake::createBCTLattice(double a, double c)
+
+ Returns a body-centered cubic (cI) lattice with edge length a. TODO: Clarify meaning of c
"""
- return _libBornAgainSample.createBCTLattice(a, c, orientation)
+ return _libBornAgainSample.createBCTLattice(a, c)
class ISampleBuilder(libBornAgainParam.IParameterized):
r"""
diff --git a/auto/Wrap/libBornAgainSample_wrap.cpp b/auto/Wrap/libBornAgainSample_wrap.cpp
index 4360cb94ec10271257bf6cb5c0f5567935c4ed37..7ee98b2a221e8bca86032db23fa98ee46f5b97b9 100644
--- a/auto/Wrap/libBornAgainSample_wrap.cpp
+++ b/auto/Wrap/libBornAgainSample_wrap.cpp
@@ -3161,146 +3161,141 @@ namespace Swig {
#define SWIGTYPE_p_HexagonalLattice swig_types[61]
#define SWIGTYPE_p_IAbstractParticle swig_types[62]
#define SWIGTYPE_p_ICloneable swig_types[63]
-#define SWIGTYPE_p_IClusteredParticles swig_types[64]
-#define SWIGTYPE_p_ICosineRipple swig_types[65]
-#define SWIGTYPE_p_IFTDecayFunction1D swig_types[66]
-#define SWIGTYPE_p_IFTDecayFunction2D swig_types[67]
-#define SWIGTYPE_p_IFTDistribution1D swig_types[68]
-#define SWIGTYPE_p_IFTDistribution2D swig_types[69]
-#define SWIGTYPE_p_IFactoryT_std__string_ISampleBuilder_t swig_types[70]
-#define SWIGTYPE_p_IFormFactor swig_types[71]
-#define SWIGTYPE_p_IFormFactorBorn swig_types[72]
-#define SWIGTYPE_p_IFormFactorDecorator swig_types[73]
-#define SWIGTYPE_p_IFormFactorPolyhedron swig_types[74]
-#define SWIGTYPE_p_IFormFactorPrism swig_types[75]
-#define SWIGTYPE_p_IInterferenceFunction swig_types[76]
-#define SWIGTYPE_p_ILatticeOrientation swig_types[77]
-#define SWIGTYPE_p_ILayout swig_types[78]
-#define SWIGTYPE_p_INode swig_types[79]
-#define SWIGTYPE_p_INodeVisitor swig_types[80]
-#define SWIGTYPE_p_IParameterized swig_types[81]
-#define SWIGTYPE_p_IParticle swig_types[82]
-#define SWIGTYPE_p_IPeakShape swig_types[83]
-#define SWIGTYPE_p_IProfileRectangularRipple swig_types[84]
-#define SWIGTYPE_p_IProfileRipple swig_types[85]
-#define SWIGTYPE_p_IRotation swig_types[86]
-#define SWIGTYPE_p_ISample swig_types[87]
-#define SWIGTYPE_p_ISampleBuilder swig_types[88]
-#define SWIGTYPE_p_ISawtoothRipple swig_types[89]
-#define SWIGTYPE_p_ISelectionRule swig_types[90]
-#define SWIGTYPE_p_IdentityRotation swig_types[91]
-#define SWIGTYPE_p_InterferenceFunction1DLattice swig_types[92]
-#define SWIGTYPE_p_InterferenceFunction2DLattice swig_types[93]
-#define SWIGTYPE_p_InterferenceFunction2DParaCrystal swig_types[94]
-#define SWIGTYPE_p_InterferenceFunction2DSuperLattice swig_types[95]
-#define SWIGTYPE_p_InterferenceFunction3DLattice swig_types[96]
-#define SWIGTYPE_p_InterferenceFunctionFinite2DLattice swig_types[97]
-#define SWIGTYPE_p_InterferenceFunctionFinite3DLattice swig_types[98]
-#define SWIGTYPE_p_InterferenceFunctionHardDisk swig_types[99]
-#define SWIGTYPE_p_InterferenceFunctionNone swig_types[100]
-#define SWIGTYPE_p_InterferenceFunctionRadialParaCrystal swig_types[101]
-#define SWIGTYPE_p_InterferenceFunctionTwin swig_types[102]
-#define SWIGTYPE_p_IsotropicGaussPeakShape swig_types[103]
-#define SWIGTYPE_p_IsotropicLorentzPeakShape swig_types[104]
-#define SWIGTYPE_p_Lattice swig_types[105]
-#define SWIGTYPE_p_Lattice2D swig_types[106]
-#define SWIGTYPE_p_Lattice2D__ReciprocalBases swig_types[107]
-#define SWIGTYPE_p_Layer swig_types[108]
-#define SWIGTYPE_p_LayerInterface swig_types[109]
-#define SWIGTYPE_p_LayerRoughness swig_types[110]
-#define SWIGTYPE_p_LorentzFisherPeakShape swig_types[111]
-#define SWIGTYPE_p_Material swig_types[112]
-#define SWIGTYPE_p_MesoCrystal swig_types[113]
-#define SWIGTYPE_p_MillerIndex swig_types[114]
-#define SWIGTYPE_p_MillerIndexOrientation swig_types[115]
-#define SWIGTYPE_p_MisesFisherGaussPeakShape swig_types[116]
-#define SWIGTYPE_p_MisesGaussPeakShape swig_types[117]
-#define SWIGTYPE_p_MultiLayer swig_types[118]
-#define SWIGTYPE_p_NodeMeta swig_types[119]
-#define SWIGTYPE_p_ParameterDistribution swig_types[120]
-#define SWIGTYPE_p_ParameterPool swig_types[121]
-#define SWIGTYPE_p_Particle swig_types[122]
-#define SWIGTYPE_p_ParticleComposition swig_types[123]
-#define SWIGTYPE_p_ParticleCoreShell swig_types[124]
-#define SWIGTYPE_p_ParticleDistribution swig_types[125]
-#define SWIGTYPE_p_ParticleLayout swig_types[126]
-#define SWIGTYPE_p_ParticleLimits swig_types[127]
-#define SWIGTYPE_p_RealParameter swig_types[128]
-#define SWIGTYPE_p_RotationEuler swig_types[129]
-#define SWIGTYPE_p_RotationX swig_types[130]
-#define SWIGTYPE_p_RotationY swig_types[131]
-#define SWIGTYPE_p_RotationZ swig_types[132]
-#define SWIGTYPE_p_RoughnessModelWrap swig_types[133]
-#define SWIGTYPE_p_RoughnessModelWrap__RoughnessModel swig_types[134]
-#define SWIGTYPE_p_SafePointerVectorT_IParticle_t swig_types[135]
-#define SWIGTYPE_p_SampleBuilderFactory swig_types[136]
-#define SWIGTYPE_p_SimpleSelectionRule swig_types[137]
-#define SWIGTYPE_p_SimulationOptions swig_types[138]
-#define SWIGTYPE_p_SlicedParticle swig_types[139]
-#define SWIGTYPE_p_SlicingEffects swig_types[140]
-#define SWIGTYPE_p_SquareLattice swig_types[141]
-#define SWIGTYPE_p_ThreadInfo swig_types[142]
-#define SWIGTYPE_p_Transform3D swig_types[143]
-#define SWIGTYPE_p_WavevectorInfo swig_types[144]
-#define SWIGTYPE_p_ZLimits swig_types[145]
-#define SWIGTYPE_p_allocator_type swig_types[146]
-#define SWIGTYPE_p_char swig_types[147]
-#define SWIGTYPE_p_difference_type swig_types[148]
-#define SWIGTYPE_p_first_type swig_types[149]
-#define SWIGTYPE_p_int swig_types[150]
-#define SWIGTYPE_p_key_type swig_types[151]
-#define SWIGTYPE_p_long_long swig_types[152]
-#define SWIGTYPE_p_mapped_type swig_types[153]
-#define SWIGTYPE_p_p_PyObject swig_types[154]
-#define SWIGTYPE_p_second_type swig_types[155]
-#define SWIGTYPE_p_short swig_types[156]
-#define SWIGTYPE_p_signed_char swig_types[157]
-#define SWIGTYPE_p_size_type swig_types[158]
-#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_double_t_t swig_types[159]
-#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t swig_types[160]
-#define SWIGTYPE_p_std__allocatorT_IFormFactor_p_t swig_types[161]
-#define SWIGTYPE_p_std__allocatorT_INode_const_p_t swig_types[162]
-#define SWIGTYPE_p_std__allocatorT_INode_p_t swig_types[163]
-#define SWIGTYPE_p_std__allocatorT_double_t swig_types[164]
-#define SWIGTYPE_p_std__allocatorT_int_t swig_types[165]
-#define SWIGTYPE_p_std__allocatorT_std__complexT_double_t_t swig_types[166]
-#define SWIGTYPE_p_std__allocatorT_std__pairT_double_double_t_t swig_types[167]
-#define SWIGTYPE_p_std__allocatorT_std__pairT_std__string_const_double_t_t swig_types[168]
-#define SWIGTYPE_p_std__allocatorT_std__string_t swig_types[169]
-#define SWIGTYPE_p_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t swig_types[170]
-#define SWIGTYPE_p_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t swig_types[171]
-#define SWIGTYPE_p_std__allocatorT_unsigned_long_t swig_types[172]
-#define SWIGTYPE_p_std__complexT_double_t swig_types[173]
-#define SWIGTYPE_p_std__functionT_ISampleBuilder_pfF_t swig_types[174]
-#define SWIGTYPE_p_std__invalid_argument swig_types[175]
-#define SWIGTYPE_p_std__lessT_std__string_t swig_types[176]
-#define SWIGTYPE_p_std__mapT_std__string_double_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_double_t_t_t swig_types[177]
-#define SWIGTYPE_p_std__pairT_double_double_t swig_types[178]
-#define SWIGTYPE_p_std__shared_ptrT_ISampleBuilder_t swig_types[179]
-#define SWIGTYPE_p_std__vectorT_BasicVector3DT_double_t_std__allocatorT_BasicVector3DT_double_t_t_t swig_types[180]
-#define SWIGTYPE_p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t swig_types[181]
-#define SWIGTYPE_p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t swig_types[182]
-#define SWIGTYPE_p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t swig_types[183]
-#define SWIGTYPE_p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t swig_types[184]
-#define SWIGTYPE_p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t swig_types[185]
-#define SWIGTYPE_p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t swig_types[186]
-#define SWIGTYPE_p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t swig_types[187]
-#define SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t swig_types[188]
-#define SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t swig_types[189]
-#define SWIGTYPE_p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t swig_types[190]
-#define SWIGTYPE_p_std__vectorT_std__pairT_double_double_t_std__allocatorT_std__pairT_double_double_t_t_t swig_types[191]
-#define SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t swig_types[192]
-#define SWIGTYPE_p_std__vectorT_std__vectorT_double_std__allocatorT_double_t_t_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t_t swig_types[193]
-#define SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t swig_types[194]
-#define SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t swig_types[195]
-#define SWIGTYPE_p_swig__SwigPyIterator swig_types[196]
-#define SWIGTYPE_p_unsigned_char swig_types[197]
-#define SWIGTYPE_p_unsigned_int swig_types[198]
-#define SWIGTYPE_p_unsigned_long_long swig_types[199]
-#define SWIGTYPE_p_unsigned_short swig_types[200]
-#define SWIGTYPE_p_value_type swig_types[201]
-static swig_type_info *swig_types[203];
-static swig_module_info swig_module = {swig_types, 202, 0, 0, 0, 0};
+#define SWIGTYPE_p_ICosineRipple swig_types[64]
+#define SWIGTYPE_p_IFTDecayFunction1D swig_types[65]
+#define SWIGTYPE_p_IFTDecayFunction2D swig_types[66]
+#define SWIGTYPE_p_IFTDistribution1D swig_types[67]
+#define SWIGTYPE_p_IFTDistribution2D swig_types[68]
+#define SWIGTYPE_p_IFactoryT_std__string_ISampleBuilder_t swig_types[69]
+#define SWIGTYPE_p_IFormFactor swig_types[70]
+#define SWIGTYPE_p_IFormFactorBorn swig_types[71]
+#define SWIGTYPE_p_IFormFactorDecorator swig_types[72]
+#define SWIGTYPE_p_IFormFactorPolyhedron swig_types[73]
+#define SWIGTYPE_p_IFormFactorPrism swig_types[74]
+#define SWIGTYPE_p_IInterferenceFunction swig_types[75]
+#define SWIGTYPE_p_INode swig_types[76]
+#define SWIGTYPE_p_INodeVisitor swig_types[77]
+#define SWIGTYPE_p_IParameterized swig_types[78]
+#define SWIGTYPE_p_IParticle swig_types[79]
+#define SWIGTYPE_p_IPeakShape swig_types[80]
+#define SWIGTYPE_p_IProfileRectangularRipple swig_types[81]
+#define SWIGTYPE_p_IProfileRipple swig_types[82]
+#define SWIGTYPE_p_IRotation swig_types[83]
+#define SWIGTYPE_p_ISample swig_types[84]
+#define SWIGTYPE_p_ISampleBuilder swig_types[85]
+#define SWIGTYPE_p_ISawtoothRipple swig_types[86]
+#define SWIGTYPE_p_ISelectionRule swig_types[87]
+#define SWIGTYPE_p_IdentityRotation swig_types[88]
+#define SWIGTYPE_p_InterferenceFunction1DLattice swig_types[89]
+#define SWIGTYPE_p_InterferenceFunction2DLattice swig_types[90]
+#define SWIGTYPE_p_InterferenceFunction2DParaCrystal swig_types[91]
+#define SWIGTYPE_p_InterferenceFunction2DSuperLattice swig_types[92]
+#define SWIGTYPE_p_InterferenceFunction3DLattice swig_types[93]
+#define SWIGTYPE_p_InterferenceFunctionFinite2DLattice swig_types[94]
+#define SWIGTYPE_p_InterferenceFunctionFinite3DLattice swig_types[95]
+#define SWIGTYPE_p_InterferenceFunctionHardDisk swig_types[96]
+#define SWIGTYPE_p_InterferenceFunctionNone swig_types[97]
+#define SWIGTYPE_p_InterferenceFunctionRadialParaCrystal swig_types[98]
+#define SWIGTYPE_p_InterferenceFunctionTwin swig_types[99]
+#define SWIGTYPE_p_IsotropicGaussPeakShape swig_types[100]
+#define SWIGTYPE_p_IsotropicLorentzPeakShape swig_types[101]
+#define SWIGTYPE_p_Lattice2D swig_types[102]
+#define SWIGTYPE_p_Lattice2D__ReciprocalBases swig_types[103]
+#define SWIGTYPE_p_Lattice3D swig_types[104]
+#define SWIGTYPE_p_Layer swig_types[105]
+#define SWIGTYPE_p_LayerInterface swig_types[106]
+#define SWIGTYPE_p_LayerRoughness swig_types[107]
+#define SWIGTYPE_p_LorentzFisherPeakShape swig_types[108]
+#define SWIGTYPE_p_Material swig_types[109]
+#define SWIGTYPE_p_MesoCrystal swig_types[110]
+#define SWIGTYPE_p_MisesFisherGaussPeakShape swig_types[111]
+#define SWIGTYPE_p_MisesGaussPeakShape swig_types[112]
+#define SWIGTYPE_p_MultiLayer swig_types[113]
+#define SWIGTYPE_p_NodeMeta swig_types[114]
+#define SWIGTYPE_p_ParameterDistribution swig_types[115]
+#define SWIGTYPE_p_ParameterPool swig_types[116]
+#define SWIGTYPE_p_Particle swig_types[117]
+#define SWIGTYPE_p_ParticleComposition swig_types[118]
+#define SWIGTYPE_p_ParticleCoreShell swig_types[119]
+#define SWIGTYPE_p_ParticleDistribution swig_types[120]
+#define SWIGTYPE_p_ParticleLayout swig_types[121]
+#define SWIGTYPE_p_ParticleLimits swig_types[122]
+#define SWIGTYPE_p_RealParameter swig_types[123]
+#define SWIGTYPE_p_RotationEuler swig_types[124]
+#define SWIGTYPE_p_RotationX swig_types[125]
+#define SWIGTYPE_p_RotationY swig_types[126]
+#define SWIGTYPE_p_RotationZ swig_types[127]
+#define SWIGTYPE_p_RoughnessModelWrap swig_types[128]
+#define SWIGTYPE_p_RoughnessModelWrap__RoughnessModel swig_types[129]
+#define SWIGTYPE_p_SafePointerVectorT_IParticle_t swig_types[130]
+#define SWIGTYPE_p_SampleBuilderFactory swig_types[131]
+#define SWIGTYPE_p_SimpleSelectionRule swig_types[132]
+#define SWIGTYPE_p_SimulationOptions swig_types[133]
+#define SWIGTYPE_p_SlicedParticle swig_types[134]
+#define SWIGTYPE_p_SlicingEffects swig_types[135]
+#define SWIGTYPE_p_SquareLattice swig_types[136]
+#define SWIGTYPE_p_ThreadInfo swig_types[137]
+#define SWIGTYPE_p_Transform3D swig_types[138]
+#define SWIGTYPE_p_WavevectorInfo swig_types[139]
+#define SWIGTYPE_p_ZLimits swig_types[140]
+#define SWIGTYPE_p_allocator_type swig_types[141]
+#define SWIGTYPE_p_char swig_types[142]
+#define SWIGTYPE_p_difference_type swig_types[143]
+#define SWIGTYPE_p_first_type swig_types[144]
+#define SWIGTYPE_p_int swig_types[145]
+#define SWIGTYPE_p_key_type swig_types[146]
+#define SWIGTYPE_p_long_long swig_types[147]
+#define SWIGTYPE_p_mapped_type swig_types[148]
+#define SWIGTYPE_p_p_PyObject swig_types[149]
+#define SWIGTYPE_p_second_type swig_types[150]
+#define SWIGTYPE_p_short swig_types[151]
+#define SWIGTYPE_p_signed_char swig_types[152]
+#define SWIGTYPE_p_size_type swig_types[153]
+#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_double_t_t swig_types[154]
+#define SWIGTYPE_p_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t swig_types[155]
+#define SWIGTYPE_p_std__allocatorT_IFormFactor_p_t swig_types[156]
+#define SWIGTYPE_p_std__allocatorT_INode_const_p_t swig_types[157]
+#define SWIGTYPE_p_std__allocatorT_INode_p_t swig_types[158]
+#define SWIGTYPE_p_std__allocatorT_double_t swig_types[159]
+#define SWIGTYPE_p_std__allocatorT_int_t swig_types[160]
+#define SWIGTYPE_p_std__allocatorT_std__complexT_double_t_t swig_types[161]
+#define SWIGTYPE_p_std__allocatorT_std__pairT_double_double_t_t swig_types[162]
+#define SWIGTYPE_p_std__allocatorT_std__pairT_std__string_const_double_t_t swig_types[163]
+#define SWIGTYPE_p_std__allocatorT_std__string_t swig_types[164]
+#define SWIGTYPE_p_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t swig_types[165]
+#define SWIGTYPE_p_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t swig_types[166]
+#define SWIGTYPE_p_std__allocatorT_unsigned_long_t swig_types[167]
+#define SWIGTYPE_p_std__complexT_double_t swig_types[168]
+#define SWIGTYPE_p_std__functionT_ISampleBuilder_pfF_t swig_types[169]
+#define SWIGTYPE_p_std__invalid_argument swig_types[170]
+#define SWIGTYPE_p_std__lessT_std__string_t swig_types[171]
+#define SWIGTYPE_p_std__mapT_std__string_double_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_double_t_t_t swig_types[172]
+#define SWIGTYPE_p_std__pairT_double_double_t swig_types[173]
+#define SWIGTYPE_p_std__shared_ptrT_ISampleBuilder_t swig_types[174]
+#define SWIGTYPE_p_std__vectorT_BasicVector3DT_double_t_std__allocatorT_BasicVector3DT_double_t_t_t swig_types[175]
+#define SWIGTYPE_p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t swig_types[176]
+#define SWIGTYPE_p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t swig_types[177]
+#define SWIGTYPE_p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t swig_types[178]
+#define SWIGTYPE_p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t swig_types[179]
+#define SWIGTYPE_p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t swig_types[180]
+#define SWIGTYPE_p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t swig_types[181]
+#define SWIGTYPE_p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t swig_types[182]
+#define SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t swig_types[183]
+#define SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t swig_types[184]
+#define SWIGTYPE_p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t swig_types[185]
+#define SWIGTYPE_p_std__vectorT_std__pairT_double_double_t_std__allocatorT_std__pairT_double_double_t_t_t swig_types[186]
+#define SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t swig_types[187]
+#define SWIGTYPE_p_std__vectorT_std__vectorT_double_std__allocatorT_double_t_t_std__allocatorT_std__vectorT_double_std__allocatorT_double_t_t_t_t swig_types[188]
+#define SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t swig_types[189]
+#define SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t swig_types[190]
+#define SWIGTYPE_p_swig__SwigPyIterator swig_types[191]
+#define SWIGTYPE_p_unsigned_char swig_types[192]
+#define SWIGTYPE_p_unsigned_int swig_types[193]
+#define SWIGTYPE_p_unsigned_long_long swig_types[194]
+#define SWIGTYPE_p_unsigned_short swig_types[195]
+#define SWIGTYPE_p_value_type swig_types[196]
+static swig_type_info *swig_types[198];
+static swig_module_info swig_module = {swig_types, 197, 0, 0, 0, 0};
#define SWIG_TypeQuery(name) SWIG_TypeQueryModule(&swig_module, &swig_module, name)
#define SWIG_MangledTypeQuery(name) SWIG_MangledTypeQueryModule(&swig_module, &swig_module, name)
@@ -6810,7 +6805,6 @@ SWIGINTERN void std_vector_Sl_std_pair_Sl_double_Sc_double_Sg__Sg__insert__SWIG_
#include "Sample/Correlations/FTDecay2D.h"
#include "Sample/Correlations/FTDistributions1D.h"
#include "Sample/Correlations/FTDistributions2D.h"
-#include "Sample/Correlations/ILayout.h"
#include "Sample/Correlations/IPeakShape.h"
#include "Sample/HardParticle/FormFactorAnisoPyramid.h"
#include "Sample/HardParticle/FormFactorBar.h"
@@ -6841,11 +6835,10 @@ SWIGINTERN void std_vector_Sl_std_pair_Sl_double_Sc_double_Sg__Sg__insert__SWIG_
#include "Sample/HardParticle/FormFactorTruncatedSpheroid.h"
#include "Sample/HardParticle/IFormFactorPolyhedron.h"
#include "Sample/HardParticle/IFormFactorPrism.h"
-#include "Sample/Lattice/ILatticeOrientation.h"
#include "Sample/Lattice/ISelectionRule.h"
-#include "Sample/Lattice/Lattice.h"
+#include "Sample/Lattice/Lattice3D.h"
#include "Sample/Lattice/Lattice2D.h"
-#include "Sample/Lattice/LatticeUtils.h"
+#include "Sample/Lattice/BakeLattice.h"
#include "Sample/Material/MaterialFactoryFuncs.h"
#include "Sample/Material/WavevectorInfo.h"
#include "Sample/Multilayer/Layer.h"
@@ -6856,7 +6849,6 @@ SWIGINTERN void std_vector_Sl_std_pair_Sl_double_Sc_double_Sg__Sg__insert__SWIG_
#include "Sample/Particle/FormFactorCrystal.h"
#include "Sample/Particle/FormFactorWeighted.h"
#include "Sample/Particle/IAbstractParticle.h"
-#include "Sample/Particle/IClusteredParticles.h"
#include "Sample/Particle/IParticle.h"
#include "Sample/Particle/MesoCrystal.h"
#include "Sample/Particle/Particle.h"
@@ -41804,7 +41796,7 @@ SWIGINTERN PyObject *RotationEuler_swiginit(PyObject *SWIGUNUSEDPARM(self), PyOb
SWIGINTERN PyObject *_wrap_new_FormFactorCrystal__SWIG_0(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
- Lattice *arg1 = 0 ;
+ Lattice3D *arg1 = 0 ;
IFormFactor *arg2 = 0 ;
IFormFactor *arg3 = 0 ;
double arg4 ;
@@ -41819,14 +41811,14 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal__SWIG_0(PyObject *SWIGUNUSEDPAR
FormFactorCrystal *result = 0 ;
if ((nobjs < 4) || (nobjs > 4)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice, 0 | 0);
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice3D const &""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice3D const &""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_IFormFactor, 0 | 0);
if (!SWIG_IsOK(res2)) {
SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FormFactorCrystal" "', argument " "2"" of type '" "IFormFactor const &""'");
@@ -41848,7 +41840,7 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal__SWIG_0(PyObject *SWIGUNUSEDPAR
SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "new_FormFactorCrystal" "', argument " "4"" of type '" "double""'");
}
arg4 = static_cast< double >(val4);
- result = (FormFactorCrystal *)new FormFactorCrystal((Lattice const &)*arg1,(IFormFactor const &)*arg2,(IFormFactor const &)*arg3,arg4);
+ result = (FormFactorCrystal *)new FormFactorCrystal((Lattice3D const &)*arg1,(IFormFactor const &)*arg2,(IFormFactor const &)*arg3,arg4);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_FormFactorCrystal, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -41858,7 +41850,7 @@ fail:
SWIGINTERN PyObject *_wrap_new_FormFactorCrystal__SWIG_1(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
- Lattice *arg1 = 0 ;
+ Lattice3D *arg1 = 0 ;
IFormFactor *arg2 = 0 ;
IFormFactor *arg3 = 0 ;
void *argp1 = 0 ;
@@ -41870,14 +41862,14 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal__SWIG_1(PyObject *SWIGUNUSEDPAR
FormFactorCrystal *result = 0 ;
if ((nobjs < 3) || (nobjs > 3)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice, 0 | 0);
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice3D const &""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FormFactorCrystal" "', argument " "1"" of type '" "Lattice3D const &""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_IFormFactor, 0 | 0);
if (!SWIG_IsOK(res2)) {
SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FormFactorCrystal" "', argument " "2"" of type '" "IFormFactor const &""'");
@@ -41894,7 +41886,7 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal__SWIG_1(PyObject *SWIGUNUSEDPAR
SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FormFactorCrystal" "', argument " "3"" of type '" "IFormFactor const &""'");
}
arg3 = reinterpret_cast< IFormFactor * >(argp3);
- result = (FormFactorCrystal *)new FormFactorCrystal((Lattice const &)*arg1,(IFormFactor const &)*arg2,(IFormFactor const &)*arg3);
+ result = (FormFactorCrystal *)new FormFactorCrystal((Lattice3D const &)*arg1,(IFormFactor const &)*arg2,(IFormFactor const &)*arg3);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_FormFactorCrystal, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -41912,7 +41904,7 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal(PyObject *self, PyObject *args)
--argc;
if (argc == 3) {
int _v;
- int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_Lattice, SWIG_POINTER_NO_NULL | 0);
+ int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_Lattice3D, SWIG_POINTER_NO_NULL | 0);
_v = SWIG_CheckState(res);
if (_v) {
int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_IFormFactor, SWIG_POINTER_NO_NULL | 0);
@@ -41928,7 +41920,7 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal(PyObject *self, PyObject *args)
}
if (argc == 4) {
int _v;
- int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_Lattice, SWIG_POINTER_NO_NULL | 0);
+ int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_Lattice3D, SWIG_POINTER_NO_NULL | 0);
_v = SWIG_CheckState(res);
if (_v) {
int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_IFormFactor, SWIG_POINTER_NO_NULL | 0);
@@ -41952,8 +41944,8 @@ SWIGINTERN PyObject *_wrap_new_FormFactorCrystal(PyObject *self, PyObject *args)
fail:
SWIG_Python_RaiseOrModifyTypeError("Wrong number or type of arguments for overloaded function 'new_FormFactorCrystal'.\n"
" Possible C/C++ prototypes are:\n"
- " FormFactorCrystal::FormFactorCrystal(Lattice const &,IFormFactor const &,IFormFactor const &,double)\n"
- " FormFactorCrystal::FormFactorCrystal(Lattice const &,IFormFactor const &,IFormFactor const &)\n");
+ " FormFactorCrystal::FormFactorCrystal(Lattice3D const &,IFormFactor const &,IFormFactor const &,double)\n"
+ " FormFactorCrystal::FormFactorCrystal(Lattice3D const &,IFormFactor const &,IFormFactor const &)\n");
return 0;
}
@@ -42794,152 +42786,60 @@ SWIGINTERN PyObject *IAbstractParticle_swigregister(PyObject *SWIGUNUSEDPARM(sel
return SWIG_Py_Void();
}
-SWIGINTERN PyObject *_wrap_IClusteredParticles_clone(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_new_Crystal__SWIG_0(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
- IClusteredParticles *arg1 = (IClusteredParticles *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- IClusteredParticles *result = 0 ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_IClusteredParticles, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IClusteredParticles_clone" "', argument " "1"" of type '" "IClusteredParticles const *""'");
- }
- arg1 = reinterpret_cast< IClusteredParticles * >(argp1);
- result = (IClusteredParticles *)((IClusteredParticles const *)arg1)->clone();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_IClusteredParticles, 0 | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_IClusteredParticles_createTotalFormFactor(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- IClusteredParticles *arg1 = (IClusteredParticles *) 0 ;
- IFormFactor *arg2 = 0 ;
- IRotation *arg3 = (IRotation *) 0 ;
- kvector_t *arg4 = 0 ;
+ IParticle *arg1 = 0 ;
+ Lattice3D *arg2 = 0 ;
+ double arg3 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 = 0 ;
int res2 = 0 ;
- void *argp3 = 0 ;
- int res3 = 0 ;
- void *argp4 = 0 ;
- int res4 = 0 ;
- PyObject *swig_obj[4] ;
- Swig::Director *director = 0;
- IFormFactor *result = 0 ;
+ double val3 ;
+ int ecode3 = 0 ;
+ Crystal *result = 0 ;
- if (!SWIG_Python_UnpackTuple(args, "IClusteredParticles_createTotalFormFactor", 4, 4, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_IClusteredParticles, 0 | 0 );
+ if ((nobjs < 3) || (nobjs > 3)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_IParticle, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IClusteredParticles_createTotalFormFactor" "', argument " "1"" of type '" "IClusteredParticles const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_Crystal" "', argument " "1"" of type '" "IParticle const &""'");
}
- arg1 = reinterpret_cast< IClusteredParticles * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_IFormFactor, 0 | 0);
+ if (!argp1) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Crystal" "', argument " "1"" of type '" "IParticle const &""'");
+ }
+ arg1 = reinterpret_cast< IParticle * >(argp1);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "IClusteredParticles_createTotalFormFactor" "', argument " "2"" of type '" "IFormFactor const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_Crystal" "', argument " "2"" of type '" "Lattice3D const &""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "IClusteredParticles_createTotalFormFactor" "', argument " "2"" of type '" "IFormFactor const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Crystal" "', argument " "2"" of type '" "Lattice3D const &""'");
}
- arg2 = reinterpret_cast< IFormFactor * >(argp2);
- res3 = SWIG_ConvertPtr(swig_obj[2], &argp3,SWIGTYPE_p_IRotation, 0 | 0 );
- if (!SWIG_IsOK(res3)) {
- SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "IClusteredParticles_createTotalFormFactor" "', argument " "3"" of type '" "IRotation const *""'");
- }
- arg3 = reinterpret_cast< IRotation * >(argp3);
- res4 = SWIG_ConvertPtr(swig_obj[3], &argp4, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
- if (!SWIG_IsOK(res4)) {
- SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "IClusteredParticles_createTotalFormFactor" "', argument " "4"" of type '" "kvector_t const &""'");
- }
- if (!argp4) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "IClusteredParticles_createTotalFormFactor" "', argument " "4"" of type '" "kvector_t const &""'");
- }
- arg4 = reinterpret_cast< kvector_t * >(argp4);
- result = (IFormFactor *)((IClusteredParticles const *)arg1)->createTotalFormFactor((IFormFactor const &)*arg2,(IRotation const *)arg3,(kvector_t const &)*arg4);
- director = SWIG_DIRECTOR_CAST(result);
- if (director) {
- resultobj = director->swig_get_self();
- Py_INCREF(resultobj);
- } else {
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_IFormFactor, 0 | 0 );
- }
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_IClusteredParticles_homogeneousRegions(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- IClusteredParticles *arg1 = (IClusteredParticles *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- SwigValueWrapper< std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > > > result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_IClusteredParticles, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IClusteredParticles_homogeneousRegions" "', argument " "1"" of type '" "IClusteredParticles const *""'");
- }
- arg1 = reinterpret_cast< IClusteredParticles * >(argp1);
- result = ((IClusteredParticles const *)arg1)->homogeneousRegions();
- resultobj = SWIG_NewPointerObj((new std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > >(static_cast< const std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > >& >(result))), SWIGTYPE_p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_delete_IClusteredParticles(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- IClusteredParticles *arg1 = (IClusteredParticles *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_IClusteredParticles, SWIG_POINTER_DISOWN | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_IClusteredParticles" "', argument " "1"" of type '" "IClusteredParticles *""'");
- }
- arg1 = reinterpret_cast< IClusteredParticles * >(argp1);
- delete arg1;
- resultobj = SWIG_Py_Void();
+ arg2 = reinterpret_cast< Lattice3D * >(argp2);
+ ecode3 = SWIG_AsVal_double(swig_obj[2], &val3);
+ if (!SWIG_IsOK(ecode3)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "new_Crystal" "', argument " "3"" of type '" "double""'");
+ }
+ arg3 = static_cast< double >(val3);
+ result = (Crystal *)new Crystal((IParticle const &)*arg1,(Lattice3D const &)*arg2,arg3);
+ resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Crystal, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
return NULL;
}
-SWIGINTERN PyObject *IClusteredParticles_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *obj;
- if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
- SWIG_TypeNewClientData(SWIGTYPE_p_IClusteredParticles, SWIG_NewClientData(obj));
- return SWIG_Py_Void();
-}
-
-SWIGINTERN PyObject *_wrap_new_Crystal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_new_Crystal__SWIG_1(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
IParticle *arg1 = 0 ;
- Lattice *arg2 = 0 ;
+ Lattice3D *arg2 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 = 0 ;
int res2 = 0 ;
- PyObject *swig_obj[2] ;
Crystal *result = 0 ;
- if (!SWIG_Python_UnpackTuple(args, "new_Crystal", 2, 2, swig_obj)) SWIG_fail;
+ if ((nobjs < 2) || (nobjs > 2)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_IParticle, 0 | 0);
if (!SWIG_IsOK(res1)) {
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_Crystal" "', argument " "1"" of type '" "IParticle const &""'");
@@ -42948,15 +42848,15 @@ SWIGINTERN PyObject *_wrap_new_Crystal(PyObject *SWIGUNUSEDPARM(self), PyObject
SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Crystal" "', argument " "1"" of type '" "IParticle const &""'");
}
arg1 = reinterpret_cast< IParticle * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Lattice, 0 | 0);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_Crystal" "', argument " "2"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_Crystal" "', argument " "2"" of type '" "Lattice3D const &""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Crystal" "', argument " "2"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Crystal" "', argument " "2"" of type '" "Lattice3D const &""'");
}
- arg2 = reinterpret_cast< Lattice * >(argp2);
- result = (Crystal *)new Crystal((IParticle const &)*arg1,(Lattice const &)*arg2);
+ arg2 = reinterpret_cast< Lattice3D * >(argp2);
+ result = (Crystal *)new Crystal((IParticle const &)*arg1,(Lattice3D const &)*arg2);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Crystal, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -42964,6 +42864,54 @@ fail:
}
+SWIGINTERN PyObject *_wrap_new_Crystal(PyObject *self, PyObject *args) {
+ Py_ssize_t argc;
+ PyObject *argv[4] = {
+ 0
+ };
+
+ if (!(argc = SWIG_Python_UnpackTuple(args, "new_Crystal", 0, 3, argv))) SWIG_fail;
+ --argc;
+ if (argc == 2) {
+ int _v;
+ int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_IParticle, SWIG_POINTER_NO_NULL | 0);
+ _v = SWIG_CheckState(res);
+ if (_v) {
+ int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_Lattice3D, SWIG_POINTER_NO_NULL | 0);
+ _v = SWIG_CheckState(res);
+ if (_v) {
+ return _wrap_new_Crystal__SWIG_1(self, argc, argv);
+ }
+ }
+ }
+ if (argc == 3) {
+ int _v;
+ int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_IParticle, SWIG_POINTER_NO_NULL | 0);
+ _v = SWIG_CheckState(res);
+ if (_v) {
+ int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_Lattice3D, SWIG_POINTER_NO_NULL | 0);
+ _v = SWIG_CheckState(res);
+ if (_v) {
+ {
+ int res = SWIG_AsVal_double(argv[2], NULL);
+ _v = SWIG_CheckState(res);
+ }
+ if (_v) {
+ return _wrap_new_Crystal__SWIG_0(self, argc, argv);
+ }
+ }
+ }
+ }
+
+fail:
+ SWIG_Python_RaiseOrModifyTypeError("Wrong number or type of arguments for overloaded function 'new_Crystal'.\n"
+ " Possible C/C++ prototypes are:\n"
+ " Crystal::Crystal(IParticle const &,Lattice3D const &,double)\n"
+ " Crystal::Crystal(IParticle const &,Lattice3D const &)\n");
+ return 0;
+}
+
+
SWIGINTERN PyObject *_wrap_delete_Crystal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
Crystal *arg1 = (Crystal *) 0 ;
@@ -43128,7 +43076,7 @@ SWIGINTERN PyObject *_wrap_Crystal_transformedLattice__SWIG_0(PyObject *SWIGUNUS
int res1 = 0 ;
void *argp2 = 0 ;
int res2 = 0 ;
- SwigValueWrapper< Lattice > result;
+ SwigValueWrapper< Lattice3D > result;
if ((nobjs < 2) || (nobjs > 2)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Crystal, 0 | 0 );
@@ -43142,7 +43090,7 @@ SWIGINTERN PyObject *_wrap_Crystal_transformedLattice__SWIG_0(PyObject *SWIGUNUS
}
arg2 = reinterpret_cast< IRotation * >(argp2);
result = ((Crystal const *)arg1)->transformedLattice((IRotation const *)arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -43154,7 +43102,7 @@ SWIGINTERN PyObject *_wrap_Crystal_transformedLattice__SWIG_1(PyObject *SWIGUNUS
Crystal *arg1 = (Crystal *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
- SwigValueWrapper< Lattice > result;
+ SwigValueWrapper< Lattice3D > result;
if ((nobjs < 1) || (nobjs > 1)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Crystal, 0 | 0 );
@@ -43163,7 +43111,7 @@ SWIGINTERN PyObject *_wrap_Crystal_transformedLattice__SWIG_1(PyObject *SWIGUNUS
}
arg1 = reinterpret_cast< Crystal * >(argp1);
result = ((Crystal const *)arg1)->transformedLattice();
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -43211,35 +43159,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Crystal_setPositionVariance(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- Crystal *arg1 = (Crystal *) 0 ;
- double arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "Crystal_setPositionVariance", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Crystal, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Crystal_setPositionVariance" "', argument " "1"" of type '" "Crystal *""'");
- }
- arg1 = reinterpret_cast< Crystal * >(argp1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Crystal_setPositionVariance" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- (arg1)->setPositionVariance(arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_Crystal_getChildren(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
Crystal *arg1 = (Crystal *) 0 ;
@@ -43932,7 +43851,7 @@ SWIGINTERN PyObject *IParticle_swigregister(PyObject *SWIGUNUSEDPARM(self), PyOb
SWIGINTERN PyObject *_wrap_new_MesoCrystal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- IClusteredParticles *arg1 = 0 ;
+ Crystal *arg1 = 0 ;
IFormFactor *arg2 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
@@ -43942,14 +43861,14 @@ SWIGINTERN PyObject *_wrap_new_MesoCrystal(PyObject *SWIGUNUSEDPARM(self), PyObj
MesoCrystal *result = 0 ;
if (!SWIG_Python_UnpackTuple(args, "new_MesoCrystal", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_IClusteredParticles, 0 | 0);
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Crystal, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_MesoCrystal" "', argument " "1"" of type '" "IClusteredParticles const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_MesoCrystal" "', argument " "1"" of type '" "Crystal const &""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_MesoCrystal" "', argument " "1"" of type '" "IClusteredParticles const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_MesoCrystal" "', argument " "1"" of type '" "Crystal const &""'");
}
- arg1 = reinterpret_cast< IClusteredParticles * >(argp1);
+ arg1 = reinterpret_cast< Crystal * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_IFormFactor, 0 | 0);
if (!SWIG_IsOK(res2)) {
SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_MesoCrystal" "', argument " "2"" of type '" "IFormFactor const &""'");
@@ -43958,7 +43877,7 @@ SWIGINTERN PyObject *_wrap_new_MesoCrystal(PyObject *SWIGUNUSEDPARM(self), PyObj
SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_MesoCrystal" "', argument " "2"" of type '" "IFormFactor const &""'");
}
arg2 = reinterpret_cast< IFormFactor * >(argp2);
- result = (MesoCrystal *)new MesoCrystal((IClusteredParticles const &)*arg1,(IFormFactor const &)*arg2);
+ result = (MesoCrystal *)new MesoCrystal((Crystal const &)*arg1,(IFormFactor const &)*arg2);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_MesoCrystal, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -50352,260 +50271,6 @@ SWIGINTERN PyObject *FTDistribution2DVoigt_swiginit(PyObject *SWIGUNUSEDPARM(sel
return SWIG_Python_InitShadowInstance(args);
}
-SWIGINTERN PyObject *_wrap_delete_ILayout(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, SWIG_POINTER_DISOWN | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_ILayout" "', argument " "1"" of type '" "ILayout *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- delete arg1;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_clone(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- ILayout *result = 0 ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_clone" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- result = (ILayout *)((ILayout const *)arg1)->clone();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_ILayout, 0 | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_accept(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- INodeVisitor *arg2 = (INodeVisitor *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 = 0 ;
- int res2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "ILayout_accept", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_accept" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2,SWIGTYPE_p_INodeVisitor, 0 | 0 );
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "ILayout_accept" "', argument " "2"" of type '" "INodeVisitor *""'");
- }
- arg2 = reinterpret_cast< INodeVisitor * >(argp2);
- ((ILayout const *)arg1)->accept(arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_particles(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- SwigValueWrapper< SafePointerVector< IParticle > > result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_particles" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- result = ((ILayout const *)arg1)->particles();
- resultobj = SWIG_NewPointerObj((new SafePointerVector< IParticle >(static_cast< const SafePointerVector< IParticle >& >(result))), SWIGTYPE_p_SafePointerVectorT_IParticle_t, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_interferenceFunction(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- IInterferenceFunction *result = 0 ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_interferenceFunction" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- result = (IInterferenceFunction *)((ILayout const *)arg1)->interferenceFunction();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_IInterferenceFunction, 0 | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_getTotalAbundance(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_getTotalAbundance" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- result = (double)((ILayout const *)arg1)->getTotalAbundance();
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_totalParticleSurfaceDensity(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_totalParticleSurfaceDensity" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- result = (double)((ILayout const *)arg1)->totalParticleSurfaceDensity();
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_setTotalParticleSurfaceDensity(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- double arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "ILayout_setTotalParticleSurfaceDensity", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_setTotalParticleSurfaceDensity" "', argument " "1"" of type '" "ILayout *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "ILayout_setTotalParticleSurfaceDensity" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- (arg1)->setTotalParticleSurfaceDensity(arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_weight(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_weight" "', argument " "1"" of type '" "ILayout const *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- result = (double)((ILayout const *)arg1)->weight();
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILayout_setWeight(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILayout *arg1 = (ILayout *) 0 ;
- double arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "ILayout_setWeight", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILayout, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILayout_setWeight" "', argument " "1"" of type '" "ILayout *""'");
- }
- arg1 = reinterpret_cast< ILayout * >(argp1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "ILayout_setWeight" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- (arg1)->setWeight(arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *ILayout_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *obj;
- if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
- SWIG_TypeNewClientData(SWIGTYPE_p_ILayout, SWIG_NewClientData(obj));
- return SWIG_Py_Void();
-}
-
SWIGINTERN PyObject *_wrap_delete_IPeakShape(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
IPeakShape *arg1 = (IPeakShape *) 0 ;
@@ -52646,66 +52311,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_InterferenceFunction2DLattice_createSquare(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
- InterferenceFunction2DLattice *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunction2DLattice_createSquare", 2, 2, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunction2DLattice_createSquare" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunction2DLattice_createSquare" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- result = (InterferenceFunction2DLattice *)InterferenceFunction2DLattice::createSquare(arg1,arg2);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction2DLattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_InterferenceFunction2DLattice_createHexagonal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
- InterferenceFunction2DLattice *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunction2DLattice_createHexagonal", 2, 2, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunction2DLattice_createHexagonal" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunction2DLattice_createHexagonal" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- result = (InterferenceFunction2DLattice *)InterferenceFunction2DLattice::createHexagonal(arg1,arg2);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction2DLattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_InterferenceFunction2DLattice_setDecayFunction(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
InterferenceFunction2DLattice *arg1 = (InterferenceFunction2DLattice *) 0 ;
@@ -53145,98 +52750,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_InterferenceFunction2DParaCrystal_createSquare(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double arg3 ;
- double arg4 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- double val3 ;
- int ecode3 = 0 ;
- double val4 ;
- int ecode4 = 0 ;
- PyObject *swig_obj[4] ;
- InterferenceFunction2DParaCrystal *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunction2DParaCrystal_createSquare", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunction2DParaCrystal_createSquare" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunction2DParaCrystal_createSquare" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_double(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "InterferenceFunction2DParaCrystal_createSquare" "', argument " "3"" of type '" "double""'");
- }
- arg3 = static_cast< double >(val3);
- ecode4 = SWIG_AsVal_double(swig_obj[3], &val4);
- if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "InterferenceFunction2DParaCrystal_createSquare" "', argument " "4"" of type '" "double""'");
- }
- arg4 = static_cast< double >(val4);
- result = (InterferenceFunction2DParaCrystal *)InterferenceFunction2DParaCrystal::createSquare(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction2DParaCrystal, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_InterferenceFunction2DParaCrystal_createHexagonal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double arg3 ;
- double arg4 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- double val3 ;
- int ecode3 = 0 ;
- double val4 ;
- int ecode4 = 0 ;
- PyObject *swig_obj[4] ;
- InterferenceFunction2DParaCrystal *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunction2DParaCrystal_createHexagonal", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunction2DParaCrystal_createHexagonal" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunction2DParaCrystal_createHexagonal" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_double(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "InterferenceFunction2DParaCrystal_createHexagonal" "', argument " "3"" of type '" "double""'");
- }
- arg3 = static_cast< double >(val3);
- ecode4 = SWIG_AsVal_double(swig_obj[3], &val4);
- if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "InterferenceFunction2DParaCrystal_createHexagonal" "', argument " "4"" of type '" "double""'");
- }
- arg4 = static_cast< double >(val4);
- result = (InterferenceFunction2DParaCrystal *)InterferenceFunction2DParaCrystal::createHexagonal(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction2DParaCrystal, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_InterferenceFunction2DParaCrystal_setDomainSizes(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
InterferenceFunction2DParaCrystal *arg1 = (InterferenceFunction2DParaCrystal *) 0 ;
@@ -53878,98 +53391,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_InterferenceFunction2DSuperLattice_createSquare(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- unsigned int arg3 ;
- unsigned int arg4 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- unsigned int val3 ;
- int ecode3 = 0 ;
- unsigned int val4 ;
- int ecode4 = 0 ;
- PyObject *swig_obj[4] ;
- InterferenceFunction2DSuperLattice *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunction2DSuperLattice_createSquare", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunction2DSuperLattice_createSquare" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunction2DSuperLattice_createSquare" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_unsigned_SS_int(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "InterferenceFunction2DSuperLattice_createSquare" "', argument " "3"" of type '" "unsigned int""'");
- }
- arg3 = static_cast< unsigned int >(val3);
- ecode4 = SWIG_AsVal_unsigned_SS_int(swig_obj[3], &val4);
- if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "InterferenceFunction2DSuperLattice_createSquare" "', argument " "4"" of type '" "unsigned int""'");
- }
- arg4 = static_cast< unsigned int >(val4);
- result = (InterferenceFunction2DSuperLattice *)InterferenceFunction2DSuperLattice::createSquare(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction2DSuperLattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_InterferenceFunction2DSuperLattice_createHexagonal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- unsigned int arg3 ;
- unsigned int arg4 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- unsigned int val3 ;
- int ecode3 = 0 ;
- unsigned int val4 ;
- int ecode4 = 0 ;
- PyObject *swig_obj[4] ;
- InterferenceFunction2DSuperLattice *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunction2DSuperLattice_createHexagonal", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunction2DSuperLattice_createHexagonal" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunction2DSuperLattice_createHexagonal" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_unsigned_SS_int(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "InterferenceFunction2DSuperLattice_createHexagonal" "', argument " "3"" of type '" "unsigned int""'");
- }
- arg3 = static_cast< unsigned int >(val3);
- ecode4 = SWIG_AsVal_unsigned_SS_int(swig_obj[3], &val4);
- if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "InterferenceFunction2DSuperLattice_createHexagonal" "', argument " "4"" of type '" "unsigned int""'");
- }
- arg4 = static_cast< unsigned int >(val4);
- result = (InterferenceFunction2DSuperLattice *)InterferenceFunction2DSuperLattice::createHexagonal(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction2DSuperLattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_InterferenceFunction2DSuperLattice_evaluate__SWIG_0(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
InterferenceFunction2DSuperLattice *arg1 = (InterferenceFunction2DSuperLattice *) 0 ;
@@ -54259,7 +53680,7 @@ SWIGINTERN PyObject *InterferenceFunction2DSuperLattice_swiginit(PyObject *SWIGU
SWIGINTERN PyObject *_wrap_new_InterferenceFunction3DLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = 0 ;
+ Lattice3D *arg1 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
@@ -54267,15 +53688,15 @@ SWIGINTERN PyObject *_wrap_new_InterferenceFunction3DLattice(PyObject *SWIGUNUSE
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice, 0 | 0);
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_InterferenceFunction3DLattice" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_InterferenceFunction3DLattice" "', argument " "1"" of type '" "Lattice3D const &""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_InterferenceFunction3DLattice" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_InterferenceFunction3DLattice" "', argument " "1"" of type '" "Lattice3D const &""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- result = (InterferenceFunction3DLattice *)new InterferenceFunction3DLattice((Lattice const &)*arg1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ result = (InterferenceFunction3DLattice *)new InterferenceFunction3DLattice((Lattice3D const &)*arg1);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunction3DLattice, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -54395,7 +53816,7 @@ SWIGINTERN PyObject *_wrap_InterferenceFunction3DLattice_lattice(PyObject *SWIGU
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
- Lattice *result = 0 ;
+ Lattice3D *result = 0 ;
if (!args) SWIG_fail;
swig_obj[0] = args;
@@ -54404,8 +53825,8 @@ SWIGINTERN PyObject *_wrap_InterferenceFunction3DLattice_lattice(PyObject *SWIGU
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InterferenceFunction3DLattice_lattice" "', argument " "1"" of type '" "InterferenceFunction3DLattice const *""'");
}
arg1 = reinterpret_cast< InterferenceFunction3DLattice * >(argp1);
- result = (Lattice *) &((InterferenceFunction3DLattice const *)arg1)->lattice();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice, 0 | 0 );
+ result = (Lattice3D *) &((InterferenceFunction3DLattice const *)arg1)->lattice();
+ resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice3D, 0 | 0 );
return resultobj;
fail:
return NULL;
@@ -54744,98 +54165,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_InterferenceFunctionFinite2DLattice_createSquare(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- unsigned int arg3 ;
- unsigned int arg4 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- unsigned int val3 ;
- int ecode3 = 0 ;
- unsigned int val4 ;
- int ecode4 = 0 ;
- PyObject *swig_obj[4] ;
- InterferenceFunctionFinite2DLattice *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunctionFinite2DLattice_createSquare", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunctionFinite2DLattice_createSquare" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunctionFinite2DLattice_createSquare" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_unsigned_SS_int(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "InterferenceFunctionFinite2DLattice_createSquare" "', argument " "3"" of type '" "unsigned int""'");
- }
- arg3 = static_cast< unsigned int >(val3);
- ecode4 = SWIG_AsVal_unsigned_SS_int(swig_obj[3], &val4);
- if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "InterferenceFunctionFinite2DLattice_createSquare" "', argument " "4"" of type '" "unsigned int""'");
- }
- arg4 = static_cast< unsigned int >(val4);
- result = (InterferenceFunctionFinite2DLattice *)InterferenceFunctionFinite2DLattice::createSquare(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunctionFinite2DLattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_InterferenceFunctionFinite2DLattice_createHexagonal(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- unsigned int arg3 ;
- unsigned int arg4 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- unsigned int val3 ;
- int ecode3 = 0 ;
- unsigned int val4 ;
- int ecode4 = 0 ;
- PyObject *swig_obj[4] ;
- InterferenceFunctionFinite2DLattice *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "InterferenceFunctionFinite2DLattice_createHexagonal", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "InterferenceFunctionFinite2DLattice_createHexagonal" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "InterferenceFunctionFinite2DLattice_createHexagonal" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_unsigned_SS_int(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "InterferenceFunctionFinite2DLattice_createHexagonal" "', argument " "3"" of type '" "unsigned int""'");
- }
- arg3 = static_cast< unsigned int >(val3);
- ecode4 = SWIG_AsVal_unsigned_SS_int(swig_obj[3], &val4);
- if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "InterferenceFunctionFinite2DLattice_createHexagonal" "', argument " "4"" of type '" "unsigned int""'");
- }
- arg4 = static_cast< unsigned int >(val4);
- result = (InterferenceFunctionFinite2DLattice *)InterferenceFunctionFinite2DLattice::createHexagonal(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunctionFinite2DLattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_InterferenceFunctionFinite2DLattice_numberUnitCells1(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
InterferenceFunctionFinite2DLattice *arg1 = (InterferenceFunctionFinite2DLattice *) 0 ;
@@ -55016,7 +54345,7 @@ SWIGINTERN PyObject *InterferenceFunctionFinite2DLattice_swiginit(PyObject *SWIG
SWIGINTERN PyObject *_wrap_new_InterferenceFunctionFinite3DLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = 0 ;
+ Lattice3D *arg1 = 0 ;
unsigned int arg2 ;
unsigned int arg3 ;
unsigned int arg4 ;
@@ -55032,14 +54361,14 @@ SWIGINTERN PyObject *_wrap_new_InterferenceFunctionFinite3DLattice(PyObject *SWI
InterferenceFunctionFinite3DLattice *result = 0 ;
if (!SWIG_Python_UnpackTuple(args, "new_InterferenceFunctionFinite3DLattice", 4, 4, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice, 0 | 0);
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_InterferenceFunctionFinite3DLattice" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_InterferenceFunctionFinite3DLattice" "', argument " "1"" of type '" "Lattice3D const &""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_InterferenceFunctionFinite3DLattice" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_InterferenceFunctionFinite3DLattice" "', argument " "1"" of type '" "Lattice3D const &""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
ecode2 = SWIG_AsVal_unsigned_SS_int(swig_obj[1], &val2);
if (!SWIG_IsOK(ecode2)) {
SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_InterferenceFunctionFinite3DLattice" "', argument " "2"" of type '" "unsigned int""'");
@@ -55055,7 +54384,7 @@ SWIGINTERN PyObject *_wrap_new_InterferenceFunctionFinite3DLattice(PyObject *SWI
SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "new_InterferenceFunctionFinite3DLattice" "', argument " "4"" of type '" "unsigned int""'");
}
arg4 = static_cast< unsigned int >(val4);
- result = (InterferenceFunctionFinite3DLattice *)new InterferenceFunctionFinite3DLattice((Lattice const &)*arg1,arg2,arg3,arg4);
+ result = (InterferenceFunctionFinite3DLattice *)new InterferenceFunctionFinite3DLattice((Lattice3D const &)*arg1,arg2,arg3,arg4);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_InterferenceFunctionFinite3DLattice, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -55212,7 +54541,7 @@ SWIGINTERN PyObject *_wrap_InterferenceFunctionFinite3DLattice_lattice(PyObject
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
- Lattice *result = 0 ;
+ Lattice3D *result = 0 ;
if (!args) SWIG_fail;
swig_obj[0] = args;
@@ -55221,8 +54550,8 @@ SWIGINTERN PyObject *_wrap_InterferenceFunctionFinite3DLattice_lattice(PyObject
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InterferenceFunctionFinite3DLattice_lattice" "', argument " "1"" of type '" "InterferenceFunctionFinite3DLattice const *""'");
}
arg1 = reinterpret_cast< InterferenceFunctionFinite3DLattice * >(argp1);
- result = (Lattice *) &((InterferenceFunctionFinite3DLattice const *)arg1)->lattice();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice, 0 | 0 );
+ result = (Lattice3D *) &((InterferenceFunctionFinite3DLattice const *)arg1)->lattice();
+ resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice3D, 0 | 0 );
return resultobj;
fail:
return NULL;
@@ -56884,6 +56213,58 @@ fail:
}
+SWIGINTERN PyObject *_wrap_ParticleLayout_weight(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ ParticleLayout *arg1 = (ParticleLayout *) 0 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ PyObject *swig_obj[1] ;
+ double result;
+
+ if (!args) SWIG_fail;
+ swig_obj[0] = args;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ParticleLayout, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ParticleLayout_weight" "', argument " "1"" of type '" "ParticleLayout const *""'");
+ }
+ arg1 = reinterpret_cast< ParticleLayout * >(argp1);
+ result = (double)((ParticleLayout const *)arg1)->weight();
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
+SWIGINTERN PyObject *_wrap_ParticleLayout_setWeight(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ ParticleLayout *arg1 = (ParticleLayout *) 0 ;
+ double arg2 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ double val2 ;
+ int ecode2 = 0 ;
+ PyObject *swig_obj[2] ;
+
+ if (!SWIG_Python_UnpackTuple(args, "ParticleLayout_setWeight", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ParticleLayout, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ParticleLayout_setWeight" "', argument " "1"" of type '" "ParticleLayout *""'");
+ }
+ arg1 = reinterpret_cast< ParticleLayout * >(argp1);
+ ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
+ if (!SWIG_IsOK(ecode2)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "ParticleLayout_setWeight" "', argument " "2"" of type '" "double""'");
+ }
+ arg2 = static_cast< double >(val2);
+ (arg1)->setWeight(arg2);
+ resultobj = SWIG_Py_Void();
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *ParticleLayout_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *obj;
if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
@@ -57190,7 +56571,7 @@ fail:
SWIGINTERN PyObject *_wrap_Layer_addLayout(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
Layer *arg1 = (Layer *) 0 ;
- ILayout *arg2 = 0 ;
+ ParticleLayout *arg2 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 = 0 ;
@@ -57203,15 +56584,15 @@ SWIGINTERN PyObject *_wrap_Layer_addLayout(PyObject *SWIGUNUSEDPARM(self), PyObj
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Layer_addLayout" "', argument " "1"" of type '" "Layer *""'");
}
arg1 = reinterpret_cast< Layer * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_ILayout, 0 | 0);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_ParticleLayout, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Layer_addLayout" "', argument " "2"" of type '" "ILayout const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Layer_addLayout" "', argument " "2"" of type '" "ParticleLayout const &""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Layer_addLayout" "', argument " "2"" of type '" "ILayout const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Layer_addLayout" "', argument " "2"" of type '" "ParticleLayout const &""'");
}
- arg2 = reinterpret_cast< ILayout * >(argp2);
- (arg1)->addLayout((ILayout const &)*arg2);
+ arg2 = reinterpret_cast< ParticleLayout * >(argp2);
+ (arg1)->addLayout((ParticleLayout const &)*arg2);
resultobj = SWIG_Py_Void();
return resultobj;
fail:
@@ -57248,7 +56629,7 @@ SWIGINTERN PyObject *_wrap_Layer_layouts(PyObject *SWIGUNUSEDPARM(self), PyObjec
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
- SwigValueWrapper< std::vector< ILayout const *,std::allocator< ILayout const * > > > result;
+ SwigValueWrapper< std::vector< ParticleLayout const *,std::allocator< ParticleLayout const * > > > result;
if (!args) SWIG_fail;
swig_obj[0] = args;
@@ -57258,7 +56639,7 @@ SWIGINTERN PyObject *_wrap_Layer_layouts(PyObject *SWIGUNUSEDPARM(self), PyObjec
}
arg1 = reinterpret_cast< Layer * >(argp1);
result = ((Layer const *)arg1)->layouts();
- resultobj = SWIG_NewPointerObj((new std::vector< ILayout const *,std::allocator< ILayout const * > >(static_cast< const std::vector< ILayout const *,std::allocator< ILayout const * > >& >(result))), SWIGTYPE_p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t, SWIG_POINTER_OWN | 0 );
+ resultobj = SWIG_NewPointerObj((new std::vector< ParticleLayout const *,std::allocator< ParticleLayout const * > >(static_cast< const std::vector< ParticleLayout const *,std::allocator< ParticleLayout const * > >& >(result))), SWIGTYPE_p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -67791,513 +67172,6 @@ SWIGINTERN PyObject *FormFactorSphereLogNormalRadius_swiginit(PyObject *SWIGUNUS
return SWIG_Python_InitShadowInstance(args);
}
-SWIGINTERN PyObject *_wrap_delete_ILatticeOrientation(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILatticeOrientation *arg1 = (ILatticeOrientation *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILatticeOrientation, SWIG_POINTER_DISOWN | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_ILatticeOrientation" "', argument " "1"" of type '" "ILatticeOrientation *""'");
- }
- arg1 = reinterpret_cast< ILatticeOrientation * >(argp1);
- delete arg1;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILatticeOrientation_clone(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILatticeOrientation *arg1 = (ILatticeOrientation *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- ILatticeOrientation *result = 0 ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILatticeOrientation, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILatticeOrientation_clone" "', argument " "1"" of type '" "ILatticeOrientation const *""'");
- }
- arg1 = reinterpret_cast< ILatticeOrientation * >(argp1);
- result = (ILatticeOrientation *)((ILatticeOrientation const *)arg1)->clone();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_ILatticeOrientation, 0 | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILatticeOrientation_usePrimitiveLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILatticeOrientation *arg1 = (ILatticeOrientation *) 0 ;
- Lattice *arg2 = 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 = 0 ;
- int res2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "ILatticeOrientation_usePrimitiveLattice", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILatticeOrientation, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILatticeOrientation_usePrimitiveLattice" "', argument " "1"" of type '" "ILatticeOrientation *""'");
- }
- arg1 = reinterpret_cast< ILatticeOrientation * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Lattice, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "ILatticeOrientation_usePrimitiveLattice" "', argument " "2"" of type '" "Lattice const &""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "ILatticeOrientation_usePrimitiveLattice" "', argument " "2"" of type '" "Lattice const &""'");
- }
- arg2 = reinterpret_cast< Lattice * >(argp2);
- (arg1)->usePrimitiveLattice((Lattice const &)*arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_ILatticeOrientation_transformation(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- ILatticeOrientation *arg1 = (ILatticeOrientation *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- Transform3D result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_ILatticeOrientation, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ILatticeOrientation_transformation" "', argument " "1"" of type '" "ILatticeOrientation const *""'");
- }
- arg1 = reinterpret_cast< ILatticeOrientation * >(argp1);
- result = ((ILatticeOrientation const *)arg1)->transformation();
- resultobj = SWIG_NewPointerObj((new Transform3D(static_cast< const Transform3D& >(result))), SWIGTYPE_p_Transform3D, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *ILatticeOrientation_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *obj;
- if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
- SWIG_TypeNewClientData(SWIGTYPE_p_ILatticeOrientation, SWIG_NewClientData(obj));
- return SWIG_Py_Void();
-}
-
-SWIGINTERN PyObject *_wrap_new_MillerIndex(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double arg3 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- double val3 ;
- int ecode3 = 0 ;
- PyObject *swig_obj[3] ;
- MillerIndex *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "new_MillerIndex", 3, 3, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_MillerIndex" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_MillerIndex" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- ecode3 = SWIG_AsVal_double(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "new_MillerIndex" "', argument " "3"" of type '" "double""'");
- }
- arg3 = static_cast< double >(val3);
- result = (MillerIndex *)new MillerIndex(arg1,arg2,arg3);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_MillerIndex, SWIG_POINTER_NEW | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndex_h_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- double arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "MillerIndex_h_set", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndex_h_set" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "MillerIndex_h_set" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- if (arg1) (arg1)->h = arg2;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndex_h_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndex_h_get" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- result = (double) ((arg1)->h);
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndex_k_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- double arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "MillerIndex_k_set", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndex_k_set" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "MillerIndex_k_set" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- if (arg1) (arg1)->k = arg2;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndex_k_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndex_k_get" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- result = (double) ((arg1)->k);
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndex_l_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- double arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "MillerIndex_l_set", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndex_l_set" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "MillerIndex_l_set" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- if (arg1) (arg1)->l = arg2;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndex_l_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndex_l_get" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- result = (double) ((arg1)->l);
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_delete_MillerIndex(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndex *arg1 = (MillerIndex *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndex, SWIG_POINTER_DISOWN | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_MillerIndex" "', argument " "1"" of type '" "MillerIndex *""'");
- }
- arg1 = reinterpret_cast< MillerIndex * >(argp1);
- delete arg1;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *MillerIndex_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *obj;
- if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
- SWIG_TypeNewClientData(SWIGTYPE_p_MillerIndex, SWIG_NewClientData(obj));
- return SWIG_Py_Void();
-}
-
-SWIGINTERN PyObject *MillerIndex_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- return SWIG_Python_InitShadowInstance(args);
-}
-
-SWIGINTERN PyObject *_wrap_new_MillerIndexOrientation(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndexOrientation::QComponent arg1 ;
- SwigValueWrapper< MillerIndex > arg2 ;
- MillerIndexOrientation::QComponent arg3 ;
- SwigValueWrapper< MillerIndex > arg4 ;
- int val1 ;
- int ecode1 = 0 ;
- void *argp2 ;
- int res2 = 0 ;
- int val3 ;
- int ecode3 = 0 ;
- void *argp4 ;
- int res4 = 0 ;
- PyObject *swig_obj[4] ;
- MillerIndexOrientation *result = 0 ;
-
- if (!SWIG_Python_UnpackTuple(args, "new_MillerIndexOrientation", 4, 4, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_int(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_MillerIndexOrientation" "', argument " "1"" of type '" "MillerIndexOrientation::QComponent""'");
- }
- arg1 = static_cast< MillerIndexOrientation::QComponent >(val1);
- {
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_MillerIndex, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_MillerIndexOrientation" "', argument " "2"" of type '" "MillerIndex""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_MillerIndexOrientation" "', argument " "2"" of type '" "MillerIndex""'");
- } else {
- MillerIndex * temp = reinterpret_cast< MillerIndex * >(argp2);
- arg2 = *temp;
- if (SWIG_IsNewObj(res2)) delete temp;
- }
- }
- ecode3 = SWIG_AsVal_int(swig_obj[2], &val3);
- if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "new_MillerIndexOrientation" "', argument " "3"" of type '" "MillerIndexOrientation::QComponent""'");
- }
- arg3 = static_cast< MillerIndexOrientation::QComponent >(val3);
- {
- res4 = SWIG_ConvertPtr(swig_obj[3], &argp4, SWIGTYPE_p_MillerIndex, 0 | 0);
- if (!SWIG_IsOK(res4)) {
- SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "new_MillerIndexOrientation" "', argument " "4"" of type '" "MillerIndex""'");
- }
- if (!argp4) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_MillerIndexOrientation" "', argument " "4"" of type '" "MillerIndex""'");
- } else {
- MillerIndex * temp = reinterpret_cast< MillerIndex * >(argp4);
- arg4 = *temp;
- if (SWIG_IsNewObj(res4)) delete temp;
- }
- }
- result = (MillerIndexOrientation *)new MillerIndexOrientation(arg1,arg2,arg3,arg4);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_MillerIndexOrientation, SWIG_POINTER_NEW | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_delete_MillerIndexOrientation(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndexOrientation *arg1 = (MillerIndexOrientation *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndexOrientation, SWIG_POINTER_DISOWN | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_MillerIndexOrientation" "', argument " "1"" of type '" "MillerIndexOrientation *""'");
- }
- arg1 = reinterpret_cast< MillerIndexOrientation * >(argp1);
- delete arg1;
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndexOrientation_clone(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndexOrientation *arg1 = (MillerIndexOrientation *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- MillerIndexOrientation *result = 0 ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndexOrientation, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndexOrientation_clone" "', argument " "1"" of type '" "MillerIndexOrientation const *""'");
- }
- arg1 = reinterpret_cast< MillerIndexOrientation * >(argp1);
- result = (MillerIndexOrientation *)((MillerIndexOrientation const *)arg1)->clone();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_MillerIndexOrientation, 0 | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndexOrientation_usePrimitiveLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndexOrientation *arg1 = (MillerIndexOrientation *) 0 ;
- Lattice *arg2 = 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 = 0 ;
- int res2 = 0 ;
- PyObject *swig_obj[2] ;
-
- if (!SWIG_Python_UnpackTuple(args, "MillerIndexOrientation_usePrimitiveLattice", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndexOrientation, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndexOrientation_usePrimitiveLattice" "', argument " "1"" of type '" "MillerIndexOrientation *""'");
- }
- arg1 = reinterpret_cast< MillerIndexOrientation * >(argp1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Lattice, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "MillerIndexOrientation_usePrimitiveLattice" "', argument " "2"" of type '" "Lattice const &""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "MillerIndexOrientation_usePrimitiveLattice" "', argument " "2"" of type '" "Lattice const &""'");
- }
- arg2 = reinterpret_cast< Lattice * >(argp2);
- (arg1)->usePrimitiveLattice((Lattice const &)*arg2);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_MillerIndexOrientation_transformation(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- MillerIndexOrientation *arg1 = (MillerIndexOrientation *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- Transform3D result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_MillerIndexOrientation, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MillerIndexOrientation_transformation" "', argument " "1"" of type '" "MillerIndexOrientation const *""'");
- }
- arg1 = reinterpret_cast< MillerIndexOrientation * >(argp1);
- result = ((MillerIndexOrientation const *)arg1)->transformation();
- resultobj = SWIG_NewPointerObj((new Transform3D(static_cast< const Transform3D& >(result))), SWIGTYPE_p_Transform3D, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *MillerIndexOrientation_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *obj;
- if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
- SWIG_TypeNewClientData(SWIGTYPE_p_MillerIndexOrientation, SWIG_NewClientData(obj));
- return SWIG_Py_Void();
-}
-
-SWIGINTERN PyObject *MillerIndexOrientation_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- return SWIG_Python_InitShadowInstance(args);
-}
-
SWIGINTERN PyObject *_wrap_delete_ISelectionRule(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
ISelectionRule *arg1 = (ISelectionRule *) 0 ;
@@ -68518,20 +67392,7 @@ SWIGINTERN PyObject *SimpleSelectionRule_swiginit(PyObject *SWIGUNUSEDPARM(self)
return SWIG_Python_InitShadowInstance(args);
}
-SWIGINTERN PyObject *_wrap_new_Lattice__SWIG_0(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **SWIGUNUSEDPARM(swig_obj)) {
- PyObject *resultobj = 0;
- Lattice *result = 0 ;
-
- if ((nobjs < 0) || (nobjs > 0)) SWIG_fail;
- result = (Lattice *)new Lattice();
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice, SWIG_POINTER_NEW | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_new_Lattice__SWIG_1(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_new_Lattice3D__SWIG_0(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
kvector_t arg1 ;
kvector_t arg2 ;
@@ -68542,16 +67403,16 @@ SWIGINTERN PyObject *_wrap_new_Lattice__SWIG_1(PyObject *SWIGUNUSEDPARM(self), P
int res2 = 0 ;
void *argp3 ;
int res3 = 0 ;
- Lattice *result = 0 ;
+ Lattice3D *result = 0 ;
if ((nobjs < 3) || (nobjs > 3)) SWIG_fail;
{
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_Lattice" "', argument " "1"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_Lattice3D" "', argument " "1"" of type '" "kvector_t const""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice" "', argument " "1"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice3D" "', argument " "1"" of type '" "kvector_t const""'");
} else {
kvector_t * temp = reinterpret_cast< kvector_t * >(argp1);
arg1 = *temp;
@@ -68561,10 +67422,10 @@ SWIGINTERN PyObject *_wrap_new_Lattice__SWIG_1(PyObject *SWIGUNUSEDPARM(self), P
{
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_Lattice" "', argument " "2"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_Lattice3D" "', argument " "2"" of type '" "kvector_t const""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice" "', argument " "2"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice3D" "', argument " "2"" of type '" "kvector_t const""'");
} else {
kvector_t * temp = reinterpret_cast< kvector_t * >(argp2);
arg2 = *temp;
@@ -68574,65 +67435,62 @@ SWIGINTERN PyObject *_wrap_new_Lattice__SWIG_1(PyObject *SWIGUNUSEDPARM(self), P
{
res3 = SWIG_ConvertPtr(swig_obj[2], &argp3, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
if (!SWIG_IsOK(res3)) {
- SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_Lattice" "', argument " "3"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_Lattice3D" "', argument " "3"" of type '" "kvector_t const""'");
}
if (!argp3) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice" "', argument " "3"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice3D" "', argument " "3"" of type '" "kvector_t const""'");
} else {
kvector_t * temp = reinterpret_cast< kvector_t * >(argp3);
arg3 = *temp;
if (SWIG_IsNewObj(res3)) delete temp;
}
}
- result = (Lattice *)new Lattice(arg1,arg2,arg3);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice, SWIG_POINTER_NEW | 0 );
+ result = (Lattice3D *)new Lattice3D(arg1,arg2,arg3);
+ resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice3D, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
return NULL;
}
-SWIGINTERN PyObject *_wrap_new_Lattice__SWIG_2(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_new_Lattice3D__SWIG_1(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
- Lattice *arg1 = 0 ;
+ Lattice3D *arg1 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
- Lattice *result = 0 ;
+ Lattice3D *result = 0 ;
if ((nobjs < 1) || (nobjs > 1)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice, 0 | 0);
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_Lattice3D, 0 | 0);
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_Lattice" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_Lattice3D" "', argument " "1"" of type '" "Lattice3D const &""'");
}
if (!argp1) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice" "', argument " "1"" of type '" "Lattice const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_Lattice3D" "', argument " "1"" of type '" "Lattice3D const &""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- result = (Lattice *)new Lattice((Lattice const &)*arg1);
- resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice, SWIG_POINTER_NEW | 0 );
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ result = (Lattice3D *)new Lattice3D((Lattice3D const &)*arg1);
+ resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_Lattice3D, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
return NULL;
}
-SWIGINTERN PyObject *_wrap_new_Lattice(PyObject *self, PyObject *args) {
+SWIGINTERN PyObject *_wrap_new_Lattice3D(PyObject *self, PyObject *args) {
Py_ssize_t argc;
PyObject *argv[4] = {
0
};
- if (!(argc = SWIG_Python_UnpackTuple(args, "new_Lattice", 0, 3, argv))) SWIG_fail;
+ if (!(argc = SWIG_Python_UnpackTuple(args, "new_Lattice3D", 0, 3, argv))) SWIG_fail;
--argc;
- if (argc == 0) {
- return _wrap_new_Lattice__SWIG_0(self, argc, argv);
- }
if (argc == 1) {
int _v;
- int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_Lattice, SWIG_POINTER_NO_NULL | 0);
+ int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_Lattice3D, SWIG_POINTER_NO_NULL | 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_new_Lattice__SWIG_2(self, argc, argv);
+ return _wrap_new_Lattice3D__SWIG_1(self, argc, argv);
}
}
if (argc == 3) {
@@ -68646,36 +67504,35 @@ SWIGINTERN PyObject *_wrap_new_Lattice(PyObject *self, PyObject *args) {
int res = SWIG_ConvertPtr(argv[2], 0, SWIGTYPE_p_BasicVector3DT_double_t, SWIG_POINTER_NO_NULL | 0);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_new_Lattice__SWIG_1(self, argc, argv);
+ return _wrap_new_Lattice3D__SWIG_0(self, argc, argv);
}
}
}
}
fail:
- SWIG_Python_RaiseOrModifyTypeError("Wrong number or type of arguments for overloaded function 'new_Lattice'.\n"
+ SWIG_Python_RaiseOrModifyTypeError("Wrong number or type of arguments for overloaded function 'new_Lattice3D'.\n"
" Possible C/C++ prototypes are:\n"
- " Lattice::Lattice()\n"
- " Lattice::Lattice(kvector_t const,kvector_t const,kvector_t const)\n"
- " Lattice::Lattice(Lattice const &)\n");
+ " Lattice3D::Lattice3D(kvector_t const,kvector_t const,kvector_t const)\n"
+ " Lattice3D::Lattice3D(Lattice3D const &)\n");
return 0;
}
-SWIGINTERN PyObject *_wrap_delete_Lattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_delete_Lattice3D(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, SWIG_POINTER_DISOWN | 0 );
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, SWIG_POINTER_DISOWN | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_Lattice" "', argument " "1"" of type '" "Lattice *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_Lattice3D" "', argument " "1"" of type '" "Lattice3D *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
delete arg1;
resultobj = SWIG_Py_Void();
return resultobj;
@@ -68684,9 +67541,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_accept(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_accept(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
INodeVisitor *arg2 = (INodeVisitor *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
@@ -68694,18 +67551,18 @@ SWIGINTERN PyObject *_wrap_Lattice_accept(PyObject *SWIGUNUSEDPARM(self), PyObje
int res2 = 0 ;
PyObject *swig_obj[2] ;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_accept", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_accept", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_accept" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_accept" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2,SWIGTYPE_p_INodeVisitor, 0 | 0 );
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_accept" "', argument " "2"" of type '" "INodeVisitor *""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice3D_accept" "', argument " "2"" of type '" "INodeVisitor *""'");
}
arg2 = reinterpret_cast< INodeVisitor * >(argp2);
- ((Lattice const *)arg1)->accept(arg2);
+ ((Lattice3D const *)arg1)->accept(arg2);
resultobj = SWIG_Py_Void();
return resultobj;
fail:
@@ -68713,54 +67570,54 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_transformed(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_transformed(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
Transform3D *arg2 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 = 0 ;
int res2 = 0 ;
PyObject *swig_obj[2] ;
- SwigValueWrapper< Lattice > result;
+ SwigValueWrapper< Lattice3D > result;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_transformed", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_transformed", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_transformed" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_transformed" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Transform3D, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_transformed" "', argument " "2"" of type '" "Transform3D const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice3D_transformed" "', argument " "2"" of type '" "Transform3D const &""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_transformed" "', argument " "2"" of type '" "Transform3D const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_transformed" "', argument " "2"" of type '" "Transform3D const &""'");
}
arg2 = reinterpret_cast< Transform3D * >(argp2);
- result = ((Lattice const *)arg1)->transformed((Transform3D const &)*arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
+ result = ((Lattice3D const *)arg1)->transformed((Transform3D const &)*arg2);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
}
-SWIGINTERN PyObject *_wrap_Lattice_initialize(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_initialize(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_initialize" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_initialize" "', argument " "1"" of type '" "Lattice3D *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- ((Lattice const *)arg1)->initialize();
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ (arg1)->initialize();
resultobj = SWIG_Py_Void();
return resultobj;
fail:
@@ -68768,9 +67625,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_getBasisVectorA(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_getBasisVectorA(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
@@ -68778,12 +67635,12 @@ SWIGINTERN PyObject *_wrap_Lattice_getBasisVectorA(PyObject *SWIGUNUSEDPARM(self
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getBasisVectorA" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_getBasisVectorA" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- result = ((Lattice const *)arg1)->getBasisVectorA();
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ result = ((Lattice3D const *)arg1)->getBasisVectorA();
resultobj = SWIG_NewPointerObj((new kvector_t(static_cast< const kvector_t& >(result))), SWIGTYPE_p_BasicVector3DT_double_t, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
@@ -68791,9 +67648,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_getBasisVectorB(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_getBasisVectorB(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
@@ -68801,12 +67658,12 @@ SWIGINTERN PyObject *_wrap_Lattice_getBasisVectorB(PyObject *SWIGUNUSEDPARM(self
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getBasisVectorB" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_getBasisVectorB" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- result = ((Lattice const *)arg1)->getBasisVectorB();
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ result = ((Lattice3D const *)arg1)->getBasisVectorB();
resultobj = SWIG_NewPointerObj((new kvector_t(static_cast< const kvector_t& >(result))), SWIGTYPE_p_BasicVector3DT_double_t, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
@@ -68814,9 +67671,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_getBasisVectorC(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_getBasisVectorC(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
@@ -68824,12 +67681,12 @@ SWIGINTERN PyObject *_wrap_Lattice_getBasisVectorC(PyObject *SWIGUNUSEDPARM(self
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getBasisVectorC" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_getBasisVectorC" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- result = ((Lattice const *)arg1)->getBasisVectorC();
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ result = ((Lattice3D const *)arg1)->getBasisVectorC();
resultobj = SWIG_NewPointerObj((new kvector_t(static_cast< const kvector_t& >(result))), SWIGTYPE_p_BasicVector3DT_double_t, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
@@ -68837,78 +67694,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_resetBasis(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_getMillerDirection(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
- kvector_t arg2 ;
- kvector_t arg3 ;
- kvector_t arg4 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 ;
- int res2 = 0 ;
- void *argp3 ;
- int res3 = 0 ;
- void *argp4 ;
- int res4 = 0 ;
- PyObject *swig_obj[4] ;
-
- if (!SWIG_Python_UnpackTuple(args, "Lattice_resetBasis", 4, 4, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_resetBasis" "', argument " "1"" of type '" "Lattice *""'");
- }
- arg1 = reinterpret_cast< Lattice * >(argp1);
- {
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_resetBasis" "', argument " "2"" of type '" "kvector_t const""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_resetBasis" "', argument " "2"" of type '" "kvector_t const""'");
- } else {
- kvector_t * temp = reinterpret_cast< kvector_t * >(argp2);
- arg2 = *temp;
- if (SWIG_IsNewObj(res2)) delete temp;
- }
- }
- {
- res3 = SWIG_ConvertPtr(swig_obj[2], &argp3, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
- if (!SWIG_IsOK(res3)) {
- SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Lattice_resetBasis" "', argument " "3"" of type '" "kvector_t const""'");
- }
- if (!argp3) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_resetBasis" "', argument " "3"" of type '" "kvector_t const""'");
- } else {
- kvector_t * temp = reinterpret_cast< kvector_t * >(argp3);
- arg3 = *temp;
- if (SWIG_IsNewObj(res3)) delete temp;
- }
- }
- {
- res4 = SWIG_ConvertPtr(swig_obj[3], &argp4, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
- if (!SWIG_IsOK(res4)) {
- SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "Lattice_resetBasis" "', argument " "4"" of type '" "kvector_t const""'");
- }
- if (!argp4) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_resetBasis" "', argument " "4"" of type '" "kvector_t const""'");
- } else {
- kvector_t * temp = reinterpret_cast< kvector_t * >(argp4);
- arg4 = *temp;
- if (SWIG_IsNewObj(res4)) delete temp;
- }
- }
- (arg1)->resetBasis(arg2,arg3,arg4);
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_getMillerDirection(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
double arg2 ;
double arg3 ;
double arg4 ;
@@ -68923,28 +67711,28 @@ SWIGINTERN PyObject *_wrap_Lattice_getMillerDirection(PyObject *SWIGUNUSEDPARM(s
PyObject *swig_obj[4] ;
kvector_t result;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_getMillerDirection", 4, 4, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_getMillerDirection", 4, 4, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getMillerDirection" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_getMillerDirection" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Lattice_getMillerDirection" "', argument " "2"" of type '" "double""'");
+ SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Lattice3D_getMillerDirection" "', argument " "2"" of type '" "double""'");
}
arg2 = static_cast< double >(val2);
ecode3 = SWIG_AsVal_double(swig_obj[2], &val3);
if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "Lattice_getMillerDirection" "', argument " "3"" of type '" "double""'");
+ SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "Lattice3D_getMillerDirection" "', argument " "3"" of type '" "double""'");
}
arg3 = static_cast< double >(val3);
ecode4 = SWIG_AsVal_double(swig_obj[3], &val4);
if (!SWIG_IsOK(ecode4)) {
- SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "Lattice_getMillerDirection" "', argument " "4"" of type '" "double""'");
+ SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "Lattice3D_getMillerDirection" "', argument " "4"" of type '" "double""'");
}
arg4 = static_cast< double >(val4);
- result = ((Lattice const *)arg1)->getMillerDirection(arg2,arg3,arg4);
+ result = ((Lattice3D const *)arg1)->getMillerDirection(arg2,arg3,arg4);
resultobj = SWIG_NewPointerObj((new kvector_t(static_cast< const kvector_t& >(result))), SWIGTYPE_p_BasicVector3DT_double_t, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
@@ -68952,9 +67740,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_volume(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_unitCellVolume(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
PyObject *swig_obj[1] ;
@@ -68962,12 +67750,12 @@ SWIGINTERN PyObject *_wrap_Lattice_volume(PyObject *SWIGUNUSEDPARM(self), PyObje
if (!args) SWIG_fail;
swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_volume" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_unitCellVolume" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
- result = (double)((Lattice const *)arg1)->volume();
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
+ result = (double)((Lattice3D const *)arg1)->unitCellVolume();
resultobj = SWIG_From_double(static_cast< double >(result));
return resultobj;
fail:
@@ -68975,9 +67763,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_getReciprocalLatticeBasis(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_getReciprocalLatticeBasis(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
kvector_t *arg2 = 0 ;
kvector_t *arg3 = 0 ;
kvector_t *arg4 = 0 ;
@@ -68991,37 +67779,37 @@ SWIGINTERN PyObject *_wrap_Lattice_getReciprocalLatticeBasis(PyObject *SWIGUNUSE
int res4 = 0 ;
PyObject *swig_obj[4] ;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_getReciprocalLatticeBasis", 4, 4, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_getReciprocalLatticeBasis", 4, 4, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_BasicVector3DT_double_t, 0 );
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "2"" of type '" "kvector_t &""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "2"" of type '" "kvector_t &""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "2"" of type '" "kvector_t &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "2"" of type '" "kvector_t &""'");
}
arg2 = reinterpret_cast< kvector_t * >(argp2);
res3 = SWIG_ConvertPtr(swig_obj[2], &argp3, SWIGTYPE_p_BasicVector3DT_double_t, 0 );
if (!SWIG_IsOK(res3)) {
- SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "3"" of type '" "kvector_t &""'");
+ SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "3"" of type '" "kvector_t &""'");
}
if (!argp3) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "3"" of type '" "kvector_t &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "3"" of type '" "kvector_t &""'");
}
arg3 = reinterpret_cast< kvector_t * >(argp3);
res4 = SWIG_ConvertPtr(swig_obj[3], &argp4, SWIGTYPE_p_BasicVector3DT_double_t, 0 );
if (!SWIG_IsOK(res4)) {
- SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "4"" of type '" "kvector_t &""'");
+ SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "4"" of type '" "kvector_t &""'");
}
if (!argp4) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_getReciprocalLatticeBasis" "', argument " "4"" of type '" "kvector_t &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_getReciprocalLatticeBasis" "', argument " "4"" of type '" "kvector_t &""'");
}
arg4 = reinterpret_cast< kvector_t * >(argp4);
- ((Lattice const *)arg1)->getReciprocalLatticeBasis(*arg2,*arg3,*arg4);
+ ((Lattice3D const *)arg1)->getReciprocalLatticeBasis(*arg2,*arg3,*arg4);
resultobj = SWIG_Py_Void();
return resultobj;
fail:
@@ -69029,47 +67817,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_getNearestLatticeVectorCoordinates(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
- kvector_t arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 ;
- int res2 = 0 ;
- PyObject *swig_obj[2] ;
- SwigValueWrapper< BasicVector3D< int > > result;
-
- if (!SWIG_Python_UnpackTuple(args, "Lattice_getNearestLatticeVectorCoordinates", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getNearestLatticeVectorCoordinates" "', argument " "1"" of type '" "Lattice const *""'");
- }
- arg1 = reinterpret_cast< Lattice * >(argp1);
- {
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_getNearestLatticeVectorCoordinates" "', argument " "2"" of type '" "kvector_t const""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_getNearestLatticeVectorCoordinates" "', argument " "2"" of type '" "kvector_t const""'");
- } else {
- kvector_t * temp = reinterpret_cast< kvector_t * >(argp2);
- arg2 = *temp;
- if (SWIG_IsNewObj(res2)) delete temp;
- }
- }
- result = ((Lattice const *)arg1)->getNearestLatticeVectorCoordinates(arg2);
- resultobj = SWIG_NewPointerObj((new ivector_t(static_cast< const ivector_t& >(result))), SWIGTYPE_p_BasicVector3DT_int_t, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_getNearestReciprocalLatticeVectorCoordinates(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_getNearestReciprocalLatticeVectorCoordinates(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
kvector_t arg2 ;
void *argp1 = 0 ;
int res1 = 0 ;
@@ -69078,26 +67828,26 @@ SWIGINTERN PyObject *_wrap_Lattice_getNearestReciprocalLatticeVectorCoordinates(
PyObject *swig_obj[2] ;
SwigValueWrapper< BasicVector3D< int > > result;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_getNearestReciprocalLatticeVectorCoordinates", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_getNearestReciprocalLatticeVectorCoordinates", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_getNearestReciprocalLatticeVectorCoordinates" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_getNearestReciprocalLatticeVectorCoordinates" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
{
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_getNearestReciprocalLatticeVectorCoordinates" "', argument " "2"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice3D_getNearestReciprocalLatticeVectorCoordinates" "', argument " "2"" of type '" "kvector_t const""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_getNearestReciprocalLatticeVectorCoordinates" "', argument " "2"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_getNearestReciprocalLatticeVectorCoordinates" "', argument " "2"" of type '" "kvector_t const""'");
} else {
kvector_t * temp = reinterpret_cast< kvector_t * >(argp2);
arg2 = *temp;
if (SWIG_IsNewObj(res2)) delete temp;
}
}
- result = ((Lattice const *)arg1)->getNearestReciprocalLatticeVectorCoordinates(arg2);
+ result = ((Lattice3D const *)arg1)->getNearestReciprocalLatticeVectorCoordinates(arg2);
resultobj = SWIG_NewPointerObj((new ivector_t(static_cast< const ivector_t& >(result))), SWIGTYPE_p_BasicVector3DT_int_t, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
@@ -69105,9 +67855,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_reciprocalLatticeVectorsWithinRadius(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_reciprocalLatticeVectorsWithinRadius(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
kvector_t arg2 ;
double arg3 ;
void *argp1 = 0 ;
@@ -69119,19 +67869,19 @@ SWIGINTERN PyObject *_wrap_Lattice_reciprocalLatticeVectorsWithinRadius(PyObject
PyObject *swig_obj[3] ;
std::vector< kvector_t,std::allocator< kvector_t > > result;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_reciprocalLatticeVectorsWithinRadius", 3, 3, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_reciprocalLatticeVectorsWithinRadius", 3, 3, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_reciprocalLatticeVectorsWithinRadius" "', argument " "1"" of type '" "Lattice const *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_reciprocalLatticeVectorsWithinRadius" "', argument " "1"" of type '" "Lattice3D const *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
{
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_reciprocalLatticeVectorsWithinRadius" "', argument " "2"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice3D_reciprocalLatticeVectorsWithinRadius" "', argument " "2"" of type '" "kvector_t const""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_reciprocalLatticeVectorsWithinRadius" "', argument " "2"" of type '" "kvector_t const""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_reciprocalLatticeVectorsWithinRadius" "', argument " "2"" of type '" "kvector_t const""'");
} else {
kvector_t * temp = reinterpret_cast< kvector_t * >(argp2);
arg2 = *temp;
@@ -69140,10 +67890,10 @@ SWIGINTERN PyObject *_wrap_Lattice_reciprocalLatticeVectorsWithinRadius(PyObject
}
ecode3 = SWIG_AsVal_double(swig_obj[2], &val3);
if (!SWIG_IsOK(ecode3)) {
- SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "Lattice_reciprocalLatticeVectorsWithinRadius" "', argument " "3"" of type '" "double""'");
+ SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "Lattice3D_reciprocalLatticeVectorsWithinRadius" "', argument " "3"" of type '" "double""'");
}
arg3 = static_cast< double >(val3);
- result = ((Lattice const *)arg1)->reciprocalLatticeVectorsWithinRadius(arg2,arg3);
+ result = ((Lattice3D const *)arg1)->reciprocalLatticeVectorsWithinRadius(arg2,arg3);
resultobj = swig::from(static_cast< std::vector< BasicVector3D< double >,std::allocator< BasicVector3D< double > > > >(result));
return resultobj;
fail:
@@ -69151,9 +67901,9 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_setSelectionRule(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *_wrap_Lattice3D_setSelectionRule(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
+ Lattice3D *arg1 = (Lattice3D *) 0 ;
ISelectionRule *arg2 = 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
@@ -69161,18 +67911,18 @@ SWIGINTERN PyObject *_wrap_Lattice_setSelectionRule(PyObject *SWIGUNUSEDPARM(sel
int res2 = 0 ;
PyObject *swig_obj[2] ;
- if (!SWIG_Python_UnpackTuple(args, "Lattice_setSelectionRule", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
+ if (!SWIG_Python_UnpackTuple(args, "Lattice3D_setSelectionRule", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice3D, 0 | 0 );
if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_setSelectionRule" "', argument " "1"" of type '" "Lattice *""'");
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice3D_setSelectionRule" "', argument " "1"" of type '" "Lattice3D *""'");
}
- arg1 = reinterpret_cast< Lattice * >(argp1);
+ arg1 = reinterpret_cast< Lattice3D * >(argp1);
res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_ISelectionRule, 0 | 0);
if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice_setSelectionRule" "', argument " "2"" of type '" "ISelectionRule const &""'");
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Lattice3D_setSelectionRule" "', argument " "2"" of type '" "ISelectionRule const &""'");
}
if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice_setSelectionRule" "', argument " "2"" of type '" "ISelectionRule const &""'");
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Lattice3D_setSelectionRule" "', argument " "2"" of type '" "ISelectionRule const &""'");
}
arg2 = reinterpret_cast< ISelectionRule * >(argp2);
(arg1)->setSelectionRule((ISelectionRule const &)*arg2);
@@ -69183,202 +67933,14 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Lattice_createCubicLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double val1 ;
- int ecode1 = 0 ;
- PyObject *swig_obj[1] ;
- SwigValueWrapper< Lattice > result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "Lattice_createCubicLattice" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- result = Lattice::createCubicLattice(arg1);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_createFCCLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double val1 ;
- int ecode1 = 0 ;
- PyObject *swig_obj[1] ;
- SwigValueWrapper< Lattice > result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "Lattice_createFCCLattice" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- result = Lattice::createFCCLattice(arg1);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_createHexagonalLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
- SwigValueWrapper< Lattice > result;
-
- if (!SWIG_Python_UnpackTuple(args, "Lattice_createHexagonalLattice", 2, 2, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "Lattice_createHexagonalLattice" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Lattice_createHexagonalLattice" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- result = Lattice::createHexagonalLattice(arg1,arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_createHCPLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
- SwigValueWrapper< Lattice > result;
-
- if (!SWIG_Python_UnpackTuple(args, "Lattice_createHCPLattice", 2, 2, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "Lattice_createHCPLattice" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Lattice_createHCPLattice" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- result = Lattice::createHCPLattice(arg1,arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_createTetragonalLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
- SwigValueWrapper< Lattice > result;
-
- if (!SWIG_Python_UnpackTuple(args, "Lattice_createTetragonalLattice", 2, 2, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "Lattice_createTetragonalLattice" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Lattice_createTetragonalLattice" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- result = Lattice::createTetragonalLattice(arg1,arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_createBCTLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- double arg1 ;
- double arg2 ;
- double val1 ;
- int ecode1 = 0 ;
- double val2 ;
- int ecode2 = 0 ;
- PyObject *swig_obj[2] ;
- SwigValueWrapper< Lattice > result;
-
- if (!SWIG_Python_UnpackTuple(args, "Lattice_createBCTLattice", 2, 2, swig_obj)) SWIG_fail;
- ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
- if (!SWIG_IsOK(ecode1)) {
- SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "Lattice_createBCTLattice" "', argument " "1"" of type '" "double""'");
- }
- arg1 = static_cast< double >(val1);
- ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
- if (!SWIG_IsOK(ecode2)) {
- SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Lattice_createBCTLattice" "', argument " "2"" of type '" "double""'");
- }
- arg2 = static_cast< double >(val2);
- result = Lattice::createBCTLattice(arg1,arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Lattice_onChange(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- Lattice *arg1 = (Lattice *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Lattice, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Lattice_onChange" "', argument " "1"" of type '" "Lattice *""'");
- }
- arg1 = reinterpret_cast< Lattice * >(argp1);
- (arg1)->onChange();
- resultobj = SWIG_Py_Void();
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *Lattice_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *Lattice3D_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *obj;
if (!SWIG_Python_UnpackTuple(args, "swigregister", 1, 1, &obj)) return NULL;
- SWIG_TypeNewClientData(SWIGTYPE_p_Lattice, SWIG_NewClientData(obj));
+ SWIG_TypeNewClientData(SWIGTYPE_p_Lattice3D, SWIG_NewClientData(obj));
return SWIG_Py_Void();
}
-SWIGINTERN PyObject *Lattice_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+SWIGINTERN PyObject *Lattice3D_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
return SWIG_Python_InitShadowInstance(args);
}
@@ -70302,33 +68864,76 @@ SWIGINTERN PyObject *HexagonalLattice_swiginit(PyObject *SWIGUNUSEDPARM(self), P
return SWIG_Python_InitShadowInstance(args);
}
+SWIGINTERN PyObject *_wrap_createCubicLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ double arg1 ;
+ double val1 ;
+ int ecode1 = 0 ;
+ PyObject *swig_obj[1] ;
+ SwigValueWrapper< Lattice3D > result;
+
+ if (!args) SWIG_fail;
+ swig_obj[0] = args;
+ ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
+ if (!SWIG_IsOK(ecode1)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "createCubicLattice" "', argument " "1"" of type '" "double""'");
+ }
+ arg1 = static_cast< double >(val1);
+ result = bake::createCubicLattice(arg1);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_createFCCLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
double arg1 ;
- ILatticeOrientation *arg2 = 0 ;
double val1 ;
int ecode1 = 0 ;
- void *argp2 = 0 ;
- int res2 = 0 ;
- PyObject *swig_obj[2] ;
- SwigValueWrapper< Lattice > result;
+ PyObject *swig_obj[1] ;
+ SwigValueWrapper< Lattice3D > result;
- if (!SWIG_Python_UnpackTuple(args, "createFCCLattice", 2, 2, swig_obj)) SWIG_fail;
+ if (!args) SWIG_fail;
+ swig_obj[0] = args;
ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
if (!SWIG_IsOK(ecode1)) {
SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "createFCCLattice" "', argument " "1"" of type '" "double""'");
}
arg1 = static_cast< double >(val1);
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_ILatticeOrientation, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "createFCCLattice" "', argument " "2"" of type '" "ILatticeOrientation const &""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "createFCCLattice" "', argument " "2"" of type '" "ILatticeOrientation const &""'");
- }
- arg2 = reinterpret_cast< ILatticeOrientation * >(argp2);
- result = LatticeUtils::createFCCLattice(arg1,(ILatticeOrientation const &)*arg2);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
+ result = bake::createFCCLattice(arg1);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
+SWIGINTERN PyObject *_wrap_createHexagonalLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ double arg1 ;
+ double arg2 ;
+ double val1 ;
+ int ecode1 = 0 ;
+ double val2 ;
+ int ecode2 = 0 ;
+ PyObject *swig_obj[2] ;
+ SwigValueWrapper< Lattice3D > result;
+
+ if (!SWIG_Python_UnpackTuple(args, "createHexagonalLattice", 2, 2, swig_obj)) SWIG_fail;
+ ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
+ if (!SWIG_IsOK(ecode1)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "createHexagonalLattice" "', argument " "1"" of type '" "double""'");
+ }
+ arg1 = static_cast< double >(val1);
+ ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
+ if (!SWIG_IsOK(ecode2)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "createHexagonalLattice" "', argument " "2"" of type '" "double""'");
+ }
+ arg2 = static_cast< double >(val2);
+ result = bake::createHexagonalLattice(arg1,arg2);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -70339,17 +68944,14 @@ SWIGINTERN PyObject *_wrap_createHCPLattice(PyObject *SWIGUNUSEDPARM(self), PyOb
PyObject *resultobj = 0;
double arg1 ;
double arg2 ;
- ILatticeOrientation *arg3 = 0 ;
double val1 ;
int ecode1 = 0 ;
double val2 ;
int ecode2 = 0 ;
- void *argp3 = 0 ;
- int res3 = 0 ;
- PyObject *swig_obj[3] ;
- SwigValueWrapper< Lattice > result;
+ PyObject *swig_obj[2] ;
+ SwigValueWrapper< Lattice3D > result;
- if (!SWIG_Python_UnpackTuple(args, "createHCPLattice", 3, 3, swig_obj)) SWIG_fail;
+ if (!SWIG_Python_UnpackTuple(args, "createHCPLattice", 2, 2, swig_obj)) SWIG_fail;
ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
if (!SWIG_IsOK(ecode1)) {
SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "createHCPLattice" "', argument " "1"" of type '" "double""'");
@@ -70360,16 +68962,38 @@ SWIGINTERN PyObject *_wrap_createHCPLattice(PyObject *SWIGUNUSEDPARM(self), PyOb
SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "createHCPLattice" "', argument " "2"" of type '" "double""'");
}
arg2 = static_cast< double >(val2);
- res3 = SWIG_ConvertPtr(swig_obj[2], &argp3, SWIGTYPE_p_ILatticeOrientation, 0 | 0);
- if (!SWIG_IsOK(res3)) {
- SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "createHCPLattice" "', argument " "3"" of type '" "ILatticeOrientation const &""'");
- }
- if (!argp3) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "createHCPLattice" "', argument " "3"" of type '" "ILatticeOrientation const &""'");
- }
- arg3 = reinterpret_cast< ILatticeOrientation * >(argp3);
- result = LatticeUtils::createHCPLattice(arg1,arg2,(ILatticeOrientation const &)*arg3);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
+ result = bake::createHCPLattice(arg1,arg2);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
+SWIGINTERN PyObject *_wrap_createTetragonalLattice(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ double arg1 ;
+ double arg2 ;
+ double val1 ;
+ int ecode1 = 0 ;
+ double val2 ;
+ int ecode2 = 0 ;
+ PyObject *swig_obj[2] ;
+ SwigValueWrapper< Lattice3D > result;
+
+ if (!SWIG_Python_UnpackTuple(args, "createTetragonalLattice", 2, 2, swig_obj)) SWIG_fail;
+ ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
+ if (!SWIG_IsOK(ecode1)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "createTetragonalLattice" "', argument " "1"" of type '" "double""'");
+ }
+ arg1 = static_cast< double >(val1);
+ ecode2 = SWIG_AsVal_double(swig_obj[1], &val2);
+ if (!SWIG_IsOK(ecode2)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "createTetragonalLattice" "', argument " "2"" of type '" "double""'");
+ }
+ arg2 = static_cast< double >(val2);
+ result = bake::createTetragonalLattice(arg1,arg2);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -70380,17 +69004,14 @@ SWIGINTERN PyObject *_wrap_createBCTLattice(PyObject *SWIGUNUSEDPARM(self), PyOb
PyObject *resultobj = 0;
double arg1 ;
double arg2 ;
- ILatticeOrientation *arg3 = 0 ;
double val1 ;
int ecode1 = 0 ;
double val2 ;
int ecode2 = 0 ;
- void *argp3 = 0 ;
- int res3 = 0 ;
- PyObject *swig_obj[3] ;
- SwigValueWrapper< Lattice > result;
+ PyObject *swig_obj[2] ;
+ SwigValueWrapper< Lattice3D > result;
- if (!SWIG_Python_UnpackTuple(args, "createBCTLattice", 3, 3, swig_obj)) SWIG_fail;
+ if (!SWIG_Python_UnpackTuple(args, "createBCTLattice", 2, 2, swig_obj)) SWIG_fail;
ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
if (!SWIG_IsOK(ecode1)) {
SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "createBCTLattice" "', argument " "1"" of type '" "double""'");
@@ -70401,16 +69022,8 @@ SWIGINTERN PyObject *_wrap_createBCTLattice(PyObject *SWIGUNUSEDPARM(self), PyOb
SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "createBCTLattice" "', argument " "2"" of type '" "double""'");
}
arg2 = static_cast< double >(val2);
- res3 = SWIG_ConvertPtr(swig_obj[2], &argp3, SWIGTYPE_p_ILatticeOrientation, 0 | 0);
- if (!SWIG_IsOK(res3)) {
- SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "createBCTLattice" "', argument " "3"" of type '" "ILatticeOrientation const &""'");
- }
- if (!argp3) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "createBCTLattice" "', argument " "3"" of type '" "ILatticeOrientation const &""'");
- }
- arg3 = reinterpret_cast< ILatticeOrientation * >(argp3);
- result = LatticeUtils::createBCTLattice(arg1,arg2,(ILatticeOrientation const &)*arg3);
- resultobj = SWIG_NewPointerObj((new Lattice(static_cast< const Lattice& >(result))), SWIGTYPE_p_Lattice, SWIG_POINTER_OWN | 0 );
+ result = bake::createBCTLattice(arg1,arg2);
+ resultobj = SWIG_NewPointerObj((new Lattice3D(static_cast< const Lattice3D& >(result))), SWIGTYPE_p_Lattice3D, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -72700,8 +71313,8 @@ static PyMethodDef SwigMethods[] = {
{ "RotationEuler_swigregister", RotationEuler_swigregister, METH_O, NULL},
{ "RotationEuler_swiginit", RotationEuler_swiginit, METH_VARARGS, NULL},
{ "new_FormFactorCrystal", _wrap_new_FormFactorCrystal, METH_VARARGS, "\n"
- "FormFactorCrystal(Lattice lattice, IFormFactor basis_form_factor, IFormFactor meso_form_factor, double position_variance=0.0)\n"
- "FormFactorCrystal::FormFactorCrystal(const Lattice &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)\n"
+ "FormFactorCrystal(Lattice3D lattice, IFormFactor basis_form_factor, IFormFactor meso_form_factor, double position_variance=0.0)\n"
+ "FormFactorCrystal::FormFactorCrystal(const Lattice3D &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)\n"
"\n"
""},
{ "delete_FormFactorCrystal", _wrap_delete_FormFactorCrystal, METH_O, "\n"
@@ -72879,32 +71492,9 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ "IAbstractParticle_swigregister", IAbstractParticle_swigregister, METH_O, NULL},
- { "IClusteredParticles_clone", _wrap_IClusteredParticles_clone, METH_O, "\n"
- "IClusteredParticles_clone(IClusteredParticles self) -> IClusteredParticles\n"
- "IClusteredParticles* IClusteredParticles::clone() const override=0\n"
- "\n"
- "Returns a clone of this ISample object. \n"
- "\n"
- ""},
- { "IClusteredParticles_createTotalFormFactor", _wrap_IClusteredParticles_createTotalFormFactor, METH_VARARGS, "\n"
- "IClusteredParticles_createTotalFormFactor(IClusteredParticles self, IFormFactor arg2, IRotation arg3, kvector_t arg4) -> IFormFactor\n"
- "virtual IFormFactor* IClusteredParticles::createTotalFormFactor(const IFormFactor &, const IRotation *, const kvector_t &) const =0\n"
- "\n"
- "Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself \n"
- "\n"
- ""},
- { "IClusteredParticles_homogeneousRegions", _wrap_IClusteredParticles_homogeneousRegions, METH_O, "\n"
- "IClusteredParticles_homogeneousRegions(IClusteredParticles self) -> std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > >\n"
- "virtual std::vector<HomogeneousRegion> IClusteredParticles::homogeneousRegions() const =0\n"
- "\n"
- "Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume \n"
- "\n"
- ""},
- { "delete_IClusteredParticles", _wrap_delete_IClusteredParticles, METH_O, "delete_IClusteredParticles(IClusteredParticles self)"},
- { "IClusteredParticles_swigregister", IClusteredParticles_swigregister, METH_O, NULL},
{ "new_Crystal", _wrap_new_Crystal, METH_VARARGS, "\n"
- "new_Crystal(IParticle lattice_basis, Lattice lattice) -> Crystal\n"
- "Crystal::Crystal(const IParticle &lattice_basis, const Lattice &lattice)\n"
+ "Crystal(IParticle basis, Lattice3D lattice, double position_variance=0)\n"
+ "Crystal::Crystal(const IParticle &basis, const Lattice3D &lattice, double position_variance=0)\n"
"\n"
""},
{ "delete_Crystal", _wrap_delete_Crystal, METH_O, "\n"
@@ -72926,26 +71516,17 @@ static PyMethodDef SwigMethods[] = {
""},
{ "Crystal_createTotalFormFactor", _wrap_Crystal_createTotalFormFactor, METH_VARARGS, "\n"
"Crystal_createTotalFormFactor(Crystal self, IFormFactor meso_crystal_form_factor, IRotation p_rotation, kvector_t translation) -> IFormFactor\n"
- "IFormFactor * Crystal::createTotalFormFactor(const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const override final\n"
- "\n"
- "Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself \n"
+ "IFormFactor * Crystal::createTotalFormFactor(const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const\n"
"\n"
""},
{ "Crystal_homogeneousRegions", _wrap_Crystal_homogeneousRegions, METH_O, "\n"
"Crystal_homogeneousRegions(Crystal self) -> std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > >\n"
- "std::vector< HomogeneousRegion > Crystal::homogeneousRegions() const override final\n"
- "\n"
- "Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume \n"
+ "std::vector< HomogeneousRegion > Crystal::homogeneousRegions() const\n"
"\n"
""},
{ "Crystal_transformedLattice", _wrap_Crystal_transformedLattice, METH_VARARGS, "\n"
- "Crystal_transformedLattice(Crystal self, IRotation p_rotation=None) -> Lattice\n"
- "Lattice Crystal::transformedLattice(const IRotation *p_rotation=nullptr) const\n"
- "\n"
- ""},
- { "Crystal_setPositionVariance", _wrap_Crystal_setPositionVariance, METH_VARARGS, "\n"
- "Crystal_setPositionVariance(Crystal self, double position_variance)\n"
- "void Crystal::setPositionVariance(double position_variance)\n"
+ "Crystal_transformedLattice(Crystal self, IRotation p_rotation=None) -> Lattice3D\n"
+ "Lattice3D Crystal::transformedLattice(const IRotation *p_rotation=nullptr) const\n"
"\n"
""},
{ "Crystal_getChildren", _wrap_Crystal_getChildren, METH_O, "\n"
@@ -73069,8 +71650,8 @@ static PyMethodDef SwigMethods[] = {
""},
{ "IParticle_swigregister", IParticle_swigregister, METH_O, NULL},
{ "new_MesoCrystal", _wrap_new_MesoCrystal, METH_VARARGS, "\n"
- "new_MesoCrystal(IClusteredParticles particle_structure, IFormFactor form_factor) -> MesoCrystal\n"
- "MesoCrystal::MesoCrystal(const IClusteredParticles &particle_structure, const IFormFactor &form_factor)\n"
+ "new_MesoCrystal(Crystal particle_structure, IFormFactor form_factor) -> MesoCrystal\n"
+ "MesoCrystal::MesoCrystal(const Crystal &particle_structure, const IFormFactor &form_factor)\n"
"\n"
""},
{ "delete_MesoCrystal", _wrap_delete_MesoCrystal, METH_O, "\n"
@@ -73983,73 +72564,6 @@ static PyMethodDef SwigMethods[] = {
{ "delete_FTDistribution2DVoigt", _wrap_delete_FTDistribution2DVoigt, METH_O, "delete_FTDistribution2DVoigt(FTDistribution2DVoigt self)"},
{ "FTDistribution2DVoigt_swigregister", FTDistribution2DVoigt_swigregister, METH_O, NULL},
{ "FTDistribution2DVoigt_swiginit", FTDistribution2DVoigt_swiginit, METH_VARARGS, NULL},
- { "delete_ILayout", _wrap_delete_ILayout, METH_O, "\n"
- "delete_ILayout(ILayout self)\n"
- "ILayout::~ILayout()\n"
- "\n"
- ""},
- { "ILayout_clone", _wrap_ILayout_clone, METH_O, "\n"
- "ILayout_clone(ILayout self) -> ILayout\n"
- "virtual ILayout* ILayout::clone() const =0\n"
- "\n"
- "Returns a clone of this ISample object. \n"
- "\n"
- ""},
- { "ILayout_accept", _wrap_ILayout_accept, METH_VARARGS, "\n"
- "ILayout_accept(ILayout self, INodeVisitor * visitor)\n"
- "virtual void ILayout::accept(INodeVisitor *visitor) const =0\n"
- "\n"
- ""},
- { "ILayout_particles", _wrap_ILayout_particles, METH_O, "\n"
- "ILayout_particles(ILayout self) -> SafePointerVector< IParticle >\n"
- "virtual SafePointerVector<IParticle> ILayout::particles() const =0\n"
- "\n"
- "Returns information on all particles (type and abundance) and generates new particles if an IAbstractParticle denotes a collection \n"
- "\n"
- ""},
- { "ILayout_interferenceFunction", _wrap_ILayout_interferenceFunction, METH_O, "\n"
- "ILayout_interferenceFunction(ILayout self) -> IInterferenceFunction\n"
- "virtual const IInterferenceFunction* ILayout::interferenceFunction() const =0\n"
- "\n"
- "Returns the interference function. \n"
- "\n"
- ""},
- { "ILayout_getTotalAbundance", _wrap_ILayout_getTotalAbundance, METH_O, "\n"
- "ILayout_getTotalAbundance(ILayout self) -> double\n"
- "virtual double ILayout::getTotalAbundance() const =0\n"
- "\n"
- "Get total abundance of all particles. \n"
- "\n"
- ""},
- { "ILayout_totalParticleSurfaceDensity", _wrap_ILayout_totalParticleSurfaceDensity, METH_O, "\n"
- "ILayout_totalParticleSurfaceDensity(ILayout self) -> double\n"
- "virtual double ILayout::totalParticleSurfaceDensity() const =0\n"
- "\n"
- "Returns surface density of all particles. \n"
- "\n"
- ""},
- { "ILayout_setTotalParticleSurfaceDensity", _wrap_ILayout_setTotalParticleSurfaceDensity, METH_VARARGS, "\n"
- "ILayout_setTotalParticleSurfaceDensity(ILayout self, double particle_density)\n"
- "virtual void ILayout::setTotalParticleSurfaceDensity(double particle_density)=0\n"
- "\n"
- "Sets surface density of all particles. \n"
- "\n"
- ""},
- { "ILayout_weight", _wrap_ILayout_weight, METH_O, "\n"
- "ILayout_weight(ILayout self) -> double\n"
- "double ILayout::weight() const\n"
- "\n"
- "Returns the relative weight of this layout. \n"
- "\n"
- ""},
- { "ILayout_setWeight", _wrap_ILayout_setWeight, METH_VARARGS, "\n"
- "ILayout_setWeight(ILayout self, double weight)\n"
- "void ILayout::setWeight(double weight)\n"
- "\n"
- "Sets the relative weight of this layout. \n"
- "\n"
- ""},
- { "ILayout_swigregister", ILayout_swigregister, METH_O, NULL},
{ "delete_IPeakShape", _wrap_delete_IPeakShape, METH_O, "\n"
"delete_IPeakShape(IPeakShape self)\n"
"IPeakShape::~IPeakShape()\n"
@@ -74428,8 +72942,6 @@ static PyMethodDef SwigMethods[] = {
"void InterferenceFunction2DLattice::accept(INodeVisitor *visitor) const override final\n"
"\n"
""},
- { "InterferenceFunction2DLattice_createSquare", _wrap_InterferenceFunction2DLattice_createSquare, METH_VARARGS, "InterferenceFunction2DLattice_createSquare(double lattice_length, double xi) -> InterferenceFunction2DLattice"},
- { "InterferenceFunction2DLattice_createHexagonal", _wrap_InterferenceFunction2DLattice_createHexagonal, METH_VARARGS, "InterferenceFunction2DLattice_createHexagonal(double lattice_length, double xi) -> InterferenceFunction2DLattice"},
{ "InterferenceFunction2DLattice_setDecayFunction", _wrap_InterferenceFunction2DLattice_setDecayFunction, METH_VARARGS, "\n"
"InterferenceFunction2DLattice_setDecayFunction(InterferenceFunction2DLattice self, IFTDecayFunction2D decay)\n"
"void InterferenceFunction2DLattice::setDecayFunction(const IFTDecayFunction2D &decay)\n"
@@ -74520,8 +73032,6 @@ static PyMethodDef SwigMethods[] = {
"void InterferenceFunction2DParaCrystal::accept(INodeVisitor *visitor) const override final\n"
"\n"
""},
- { "InterferenceFunction2DParaCrystal_createSquare", _wrap_InterferenceFunction2DParaCrystal_createSquare, METH_VARARGS, "InterferenceFunction2DParaCrystal_createSquare(double lattice_length, double damping_length, double domain_size_1, double domain_size_2) -> InterferenceFunction2DParaCrystal"},
- { "InterferenceFunction2DParaCrystal_createHexagonal", _wrap_InterferenceFunction2DParaCrystal_createHexagonal, METH_VARARGS, "InterferenceFunction2DParaCrystal_createHexagonal(double lattice_length, double damping_length, double domain_size_1, double domain_size_2) -> InterferenceFunction2DParaCrystal"},
{ "InterferenceFunction2DParaCrystal_setDomainSizes", _wrap_InterferenceFunction2DParaCrystal_setDomainSizes, METH_VARARGS, "\n"
"InterferenceFunction2DParaCrystal_setDomainSizes(InterferenceFunction2DParaCrystal self, double size_1, double size_2)\n"
"void InterferenceFunction2DParaCrystal::setDomainSizes(double size_1, double size_2)\n"
@@ -74680,8 +73190,6 @@ static PyMethodDef SwigMethods[] = {
"const IInterferenceFunction & InterferenceFunction2DSuperLattice::substructureIFF() const\n"
"\n"
""},
- { "InterferenceFunction2DSuperLattice_createSquare", _wrap_InterferenceFunction2DSuperLattice_createSquare, METH_VARARGS, "InterferenceFunction2DSuperLattice_createSquare(double lattice_length, double xi, unsigned int size_1, unsigned int size_2) -> InterferenceFunction2DSuperLattice"},
- { "InterferenceFunction2DSuperLattice_createHexagonal", _wrap_InterferenceFunction2DSuperLattice_createHexagonal, METH_VARARGS, "InterferenceFunction2DSuperLattice_createHexagonal(double lattice_length, double xi, unsigned int size_1, unsigned int size_2) -> InterferenceFunction2DSuperLattice"},
{ "InterferenceFunction2DSuperLattice_evaluate", _wrap_InterferenceFunction2DSuperLattice_evaluate, METH_VARARGS, "\n"
"InterferenceFunction2DSuperLattice_evaluate(InterferenceFunction2DSuperLattice self, kvector_t q, double outer_iff=1.0) -> double\n"
"double InterferenceFunction2DSuperLattice::evaluate(const kvector_t q, double outer_iff=1.0) const override final\n"
@@ -74722,8 +73230,8 @@ static PyMethodDef SwigMethods[] = {
{ "InterferenceFunction2DSuperLattice_swigregister", InterferenceFunction2DSuperLattice_swigregister, METH_O, NULL},
{ "InterferenceFunction2DSuperLattice_swiginit", InterferenceFunction2DSuperLattice_swiginit, METH_VARARGS, NULL},
{ "new_InterferenceFunction3DLattice", _wrap_new_InterferenceFunction3DLattice, METH_O, "\n"
- "new_InterferenceFunction3DLattice(Lattice lattice) -> InterferenceFunction3DLattice\n"
- "InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice &lattice)\n"
+ "new_InterferenceFunction3DLattice(Lattice3D lattice) -> InterferenceFunction3DLattice\n"
+ "InterferenceFunction3DLattice::InterferenceFunction3DLattice(const Lattice3D &lattice)\n"
"\n"
""},
{ "delete_InterferenceFunction3DLattice", _wrap_delete_InterferenceFunction3DLattice, METH_O, "\n"
@@ -74749,8 +73257,8 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ "InterferenceFunction3DLattice_lattice", _wrap_InterferenceFunction3DLattice_lattice, METH_O, "\n"
- "InterferenceFunction3DLattice_lattice(InterferenceFunction3DLattice self) -> Lattice\n"
- "const Lattice & InterferenceFunction3DLattice::lattice() const\n"
+ "InterferenceFunction3DLattice_lattice(InterferenceFunction3DLattice self) -> Lattice3D\n"
+ "const Lattice3D & InterferenceFunction3DLattice::lattice() const\n"
"\n"
""},
{ "InterferenceFunction3DLattice_supportsMultilayer", _wrap_InterferenceFunction3DLattice_supportsMultilayer, METH_O, "\n"
@@ -74818,8 +73326,6 @@ static PyMethodDef SwigMethods[] = {
"void InterferenceFunctionFinite2DLattice::accept(INodeVisitor *visitor) const override final\n"
"\n"
""},
- { "InterferenceFunctionFinite2DLattice_createSquare", _wrap_InterferenceFunctionFinite2DLattice_createSquare, METH_VARARGS, "InterferenceFunctionFinite2DLattice_createSquare(double lattice_length, double xi, unsigned int N_1, unsigned int N_2) -> InterferenceFunctionFinite2DLattice"},
- { "InterferenceFunctionFinite2DLattice_createHexagonal", _wrap_InterferenceFunctionFinite2DLattice_createHexagonal, METH_VARARGS, "InterferenceFunctionFinite2DLattice_createHexagonal(double lattice_length, double xi, unsigned int N_1, unsigned int N_2) -> InterferenceFunctionFinite2DLattice"},
{ "InterferenceFunctionFinite2DLattice_numberUnitCells1", _wrap_InterferenceFunctionFinite2DLattice_numberUnitCells1, METH_O, "\n"
"InterferenceFunctionFinite2DLattice_numberUnitCells1(InterferenceFunctionFinite2DLattice self) -> unsigned int\n"
"unsigned InterferenceFunctionFinite2DLattice::numberUnitCells1() const\n"
@@ -74860,8 +73366,8 @@ static PyMethodDef SwigMethods[] = {
{ "InterferenceFunctionFinite2DLattice_swigregister", InterferenceFunctionFinite2DLattice_swigregister, METH_O, NULL},
{ "InterferenceFunctionFinite2DLattice_swiginit", InterferenceFunctionFinite2DLattice_swiginit, METH_VARARGS, NULL},
{ "new_InterferenceFunctionFinite3DLattice", _wrap_new_InterferenceFunctionFinite3DLattice, METH_VARARGS, "\n"
- "new_InterferenceFunctionFinite3DLattice(Lattice lattice, unsigned int N_1, unsigned int N_2, unsigned int N_3) -> InterferenceFunctionFinite3DLattice\n"
- "InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice &lattice, unsigned N_1, unsigned N_2, unsigned N_3)\n"
+ "new_InterferenceFunctionFinite3DLattice(Lattice3D lattice, unsigned int N_1, unsigned int N_2, unsigned int N_3) -> InterferenceFunctionFinite3DLattice\n"
+ "InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(const Lattice3D &lattice, unsigned N_1, unsigned N_2, unsigned N_3)\n"
"\n"
""},
{ "delete_InterferenceFunctionFinite3DLattice", _wrap_delete_InterferenceFunctionFinite3DLattice, METH_O, "\n"
@@ -74897,8 +73403,8 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ "InterferenceFunctionFinite3DLattice_lattice", _wrap_InterferenceFunctionFinite3DLattice_lattice, METH_O, "\n"
- "InterferenceFunctionFinite3DLattice_lattice(InterferenceFunctionFinite3DLattice self) -> Lattice\n"
- "const Lattice & InterferenceFunctionFinite3DLattice::lattice() const\n"
+ "InterferenceFunctionFinite3DLattice_lattice(InterferenceFunctionFinite3DLattice self) -> Lattice3D\n"
+ "const Lattice3D & InterferenceFunctionFinite3DLattice::lattice() const\n"
"\n"
""},
{ "InterferenceFunctionFinite3DLattice_supportsMultilayer", _wrap_InterferenceFunctionFinite3DLattice_supportsMultilayer, METH_O, "\n"
@@ -75123,14 +73629,14 @@ static PyMethodDef SwigMethods[] = {
""},
{ "ParticleLayout_clone", _wrap_ParticleLayout_clone, METH_O, "\n"
"ParticleLayout_clone(ParticleLayout self) -> ParticleLayout\n"
- "ParticleLayout * ParticleLayout::clone() const final override\n"
+ "ParticleLayout * ParticleLayout::clone() const override\n"
"\n"
"Returns a clone of this ISample object. \n"
"\n"
""},
{ "ParticleLayout_accept", _wrap_ParticleLayout_accept, METH_VARARGS, "\n"
"ParticleLayout_accept(ParticleLayout self, INodeVisitor * visitor)\n"
- "void ParticleLayout::accept(INodeVisitor *visitor) const final override\n"
+ "void ParticleLayout::accept(INodeVisitor *visitor) const override\n"
"\n"
""},
{ "ParticleLayout_addParticle", _wrap_ParticleLayout_addParticle, METH_VARARGS, "\n"
@@ -75157,23 +73663,19 @@ static PyMethodDef SwigMethods[] = {
""},
{ "ParticleLayout_particles", _wrap_ParticleLayout_particles, METH_O, "\n"
"ParticleLayout_particles(ParticleLayout self) -> SafePointerVector< IParticle >\n"
- "SafePointerVector< IParticle > ParticleLayout::particles() const final override\n"
+ "SafePointerVector< IParticle > ParticleLayout::particles() const\n"
"\n"
"Returns information on all particles (type and abundance) and generates new particles if an IAbstractParticle denotes a collection \n"
"\n"
""},
{ "ParticleLayout_interferenceFunction", _wrap_ParticleLayout_interferenceFunction, METH_O, "\n"
"ParticleLayout_interferenceFunction(ParticleLayout self) -> IInterferenceFunction\n"
- "const IInterferenceFunction * ParticleLayout::interferenceFunction() const final override\n"
- "\n"
- "Returns the interference function. \n"
+ "const IInterferenceFunction * ParticleLayout::interferenceFunction() const\n"
"\n"
""},
{ "ParticleLayout_getTotalAbundance", _wrap_ParticleLayout_getTotalAbundance, METH_O, "\n"
"ParticleLayout_getTotalAbundance(ParticleLayout self) -> double\n"
- "double ParticleLayout::getTotalAbundance() const final override\n"
- "\n"
- "Get total abundance of all particles. \n"
+ "double ParticleLayout::getTotalAbundance() const\n"
"\n"
""},
{ "ParticleLayout_setInterferenceFunction", _wrap_ParticleLayout_setInterferenceFunction, METH_VARARGS, "\n"
@@ -75185,14 +73687,12 @@ static PyMethodDef SwigMethods[] = {
""},
{ "ParticleLayout_totalParticleSurfaceDensity", _wrap_ParticleLayout_totalParticleSurfaceDensity, METH_O, "\n"
"ParticleLayout_totalParticleSurfaceDensity(ParticleLayout self) -> double\n"
- "double ParticleLayout::totalParticleSurfaceDensity() const final override\n"
- "\n"
- "Returns surface density of all particles. \n"
+ "double ParticleLayout::totalParticleSurfaceDensity() const\n"
"\n"
""},
{ "ParticleLayout_setTotalParticleSurfaceDensity", _wrap_ParticleLayout_setTotalParticleSurfaceDensity, METH_VARARGS, "\n"
"ParticleLayout_setTotalParticleSurfaceDensity(ParticleLayout self, double particle_density)\n"
- "void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density) final override\n"
+ "void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density)\n"
"\n"
"Sets total particle surface density.\n"
"\n"
@@ -75205,7 +73705,21 @@ static PyMethodDef SwigMethods[] = {
""},
{ "ParticleLayout_getChildren", _wrap_ParticleLayout_getChildren, METH_O, "\n"
"ParticleLayout_getChildren(ParticleLayout self) -> swig_dummy_type_const_inode_vector\n"
- "std::vector< const INode * > ParticleLayout::getChildren() const final override\n"
+ "std::vector< const INode * > ParticleLayout::getChildren() const override\n"
+ "\n"
+ ""},
+ { "ParticleLayout_weight", _wrap_ParticleLayout_weight, METH_O, "\n"
+ "ParticleLayout_weight(ParticleLayout self) -> double\n"
+ "double ParticleLayout::weight() const\n"
+ "\n"
+ "Returns the relative weight of this layout. \n"
+ "\n"
+ ""},
+ { "ParticleLayout_setWeight", _wrap_ParticleLayout_setWeight, METH_VARARGS, "\n"
+ "ParticleLayout_setWeight(ParticleLayout self, double weight)\n"
+ "void ParticleLayout::setWeight(double weight)\n"
+ "\n"
+ "Sets the relative weight of this layout. \n"
"\n"
""},
{ "ParticleLayout_swigregister", ParticleLayout_swigregister, METH_O, NULL},
@@ -75268,8 +73782,8 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ "Layer_addLayout", _wrap_Layer_addLayout, METH_VARARGS, "\n"
- "Layer_addLayout(Layer self, ILayout decoration)\n"
- "void Layer::addLayout(const ILayout &decoration)\n"
+ "Layer_addLayout(Layer self, ParticleLayout decoration)\n"
+ "void Layer::addLayout(const ParticleLayout &decoration)\n"
"\n"
""},
{ "Layer_numberOfLayouts", _wrap_Layer_numberOfLayouts, METH_O, "\n"
@@ -75278,8 +73792,8 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ "Layer_layouts", _wrap_Layer_layouts, METH_O, "\n"
- "Layer_layouts(Layer self) -> std::vector< ILayout const *,std::allocator< ILayout const * > >\n"
- "std::vector< const ILayout * > Layer::layouts() const\n"
+ "Layer_layouts(Layer self) -> std::vector< ParticleLayout const *,std::allocator< ParticleLayout const * > >\n"
+ "std::vector< const ParticleLayout * > Layer::layouts() const\n"
"\n"
""},
{ "Layer_getChildren", _wrap_Layer_getChildren, METH_O, "\n"
@@ -76866,70 +75380,6 @@ static PyMethodDef SwigMethods[] = {
{ "delete_FormFactorSphereLogNormalRadius", _wrap_delete_FormFactorSphereLogNormalRadius, METH_O, "delete_FormFactorSphereLogNormalRadius(FormFactorSphereLogNormalRadius self)"},
{ "FormFactorSphereLogNormalRadius_swigregister", FormFactorSphereLogNormalRadius_swigregister, METH_O, NULL},
{ "FormFactorSphereLogNormalRadius_swiginit", FormFactorSphereLogNormalRadius_swiginit, METH_VARARGS, NULL},
- { "delete_ILatticeOrientation", _wrap_delete_ILatticeOrientation, METH_O, "\n"
- "delete_ILatticeOrientation(ILatticeOrientation self)\n"
- "ILatticeOrientation::~ILatticeOrientation()\n"
- "\n"
- ""},
- { "ILatticeOrientation_clone", _wrap_ILatticeOrientation_clone, METH_O, "\n"
- "ILatticeOrientation_clone(ILatticeOrientation self) -> ILatticeOrientation\n"
- "virtual ILatticeOrientation* ILatticeOrientation::clone() const =0\n"
- "\n"
- ""},
- { "ILatticeOrientation_usePrimitiveLattice", _wrap_ILatticeOrientation_usePrimitiveLattice, METH_VARARGS, "\n"
- "ILatticeOrientation_usePrimitiveLattice(ILatticeOrientation self, Lattice lattice)\n"
- "virtual void ILatticeOrientation::usePrimitiveLattice(const Lattice &lattice)=0\n"
- "\n"
- ""},
- { "ILatticeOrientation_transformation", _wrap_ILatticeOrientation_transformation, METH_O, "\n"
- "ILatticeOrientation_transformation(ILatticeOrientation self) -> Transform3D\n"
- "virtual Transform3D ILatticeOrientation::transformation() const =0\n"
- "\n"
- ""},
- { "ILatticeOrientation_swigregister", ILatticeOrientation_swigregister, METH_O, NULL},
- { "new_MillerIndex", _wrap_new_MillerIndex, METH_VARARGS, "\n"
- "new_MillerIndex(double h_, double k_, double l_) -> MillerIndex\n"
- "MillerIndex::MillerIndex(double h_, double k_, double l_)\n"
- "\n"
- ""},
- { "MillerIndex_h_set", _wrap_MillerIndex_h_set, METH_VARARGS, "MillerIndex_h_set(MillerIndex self, double h)"},
- { "MillerIndex_h_get", _wrap_MillerIndex_h_get, METH_O, "MillerIndex_h_get(MillerIndex self) -> double"},
- { "MillerIndex_k_set", _wrap_MillerIndex_k_set, METH_VARARGS, "MillerIndex_k_set(MillerIndex self, double k)"},
- { "MillerIndex_k_get", _wrap_MillerIndex_k_get, METH_O, "MillerIndex_k_get(MillerIndex self) -> double"},
- { "MillerIndex_l_set", _wrap_MillerIndex_l_set, METH_VARARGS, "MillerIndex_l_set(MillerIndex self, double l)"},
- { "MillerIndex_l_get", _wrap_MillerIndex_l_get, METH_O, "MillerIndex_l_get(MillerIndex self) -> double"},
- { "delete_MillerIndex", _wrap_delete_MillerIndex, METH_O, "delete_MillerIndex(MillerIndex self)"},
- { "MillerIndex_swigregister", MillerIndex_swigregister, METH_O, NULL},
- { "MillerIndex_swiginit", MillerIndex_swiginit, METH_VARARGS, NULL},
- { "new_MillerIndexOrientation", _wrap_new_MillerIndexOrientation, METH_VARARGS, "\n"
- "new_MillerIndexOrientation(MillerIndexOrientation::QComponent q1, MillerIndex index1, MillerIndexOrientation::QComponent q2, MillerIndex index2) -> MillerIndexOrientation\n"
- "MillerIndexOrientation::MillerIndexOrientation(QComponent q1, MillerIndex index1, QComponent q2, MillerIndex index2)\n"
- "\n"
- "This constructor is best explained by an example. Arguments QX, (1,1,0), QY, (0,2,1) mean: Rotate the lattice such that the axis [110] points into x direction, and the axis [021], projected into the yz plane, points into z direction. \n"
- "\n"
- ""},
- { "delete_MillerIndexOrientation", _wrap_delete_MillerIndexOrientation, METH_O, "\n"
- "delete_MillerIndexOrientation(MillerIndexOrientation self)\n"
- "MillerIndexOrientation::~MillerIndexOrientation() override\n"
- "\n"
- ""},
- { "MillerIndexOrientation_clone", _wrap_MillerIndexOrientation_clone, METH_O, "\n"
- "MillerIndexOrientation_clone(MillerIndexOrientation self) -> MillerIndexOrientation\n"
- "MillerIndexOrientation * MillerIndexOrientation::clone() const override\n"
- "\n"
- ""},
- { "MillerIndexOrientation_usePrimitiveLattice", _wrap_MillerIndexOrientation_usePrimitiveLattice, METH_VARARGS, "\n"
- "MillerIndexOrientation_usePrimitiveLattice(MillerIndexOrientation self, Lattice lattice)\n"
- "void MillerIndexOrientation::usePrimitiveLattice(const Lattice &lattice) override\n"
- "\n"
- ""},
- { "MillerIndexOrientation_transformation", _wrap_MillerIndexOrientation_transformation, METH_O, "\n"
- "MillerIndexOrientation_transformation(MillerIndexOrientation self) -> Transform3D\n"
- "Transform3D MillerIndexOrientation::transformation() const override\n"
- "\n"
- ""},
- { "MillerIndexOrientation_swigregister", MillerIndexOrientation_swigregister, METH_O, NULL},
- { "MillerIndexOrientation_swiginit", MillerIndexOrientation_swiginit, METH_VARARGS, NULL},
{ "delete_ISelectionRule", _wrap_delete_ISelectionRule, METH_O, "\n"
"delete_ISelectionRule(ISelectionRule self)\n"
"virtual ISelectionRule::~ISelectionRule()\n"
@@ -76968,127 +75418,105 @@ static PyMethodDef SwigMethods[] = {
""},
{ "SimpleSelectionRule_swigregister", SimpleSelectionRule_swigregister, METH_O, NULL},
{ "SimpleSelectionRule_swiginit", SimpleSelectionRule_swiginit, METH_VARARGS, NULL},
- { "new_Lattice", _wrap_new_Lattice, METH_VARARGS, "\n"
- "Lattice()\n"
- "Lattice(kvector_t a1, kvector_t a2, kvector_t a3)\n"
- "new_Lattice(Lattice lattice) -> Lattice\n"
- "Lattice::Lattice(const Lattice &lattice)\n"
+ { "new_Lattice3D", _wrap_new_Lattice3D, METH_VARARGS, "\n"
+ "Lattice3D(kvector_t a, kvector_t b, kvector_t c)\n"
+ "new_Lattice3D(Lattice3D lattice) -> Lattice3D\n"
+ "Lattice3D::Lattice3D(const Lattice3D &lattice)\n"
"\n"
""},
- { "delete_Lattice", _wrap_delete_Lattice, METH_O, "\n"
- "delete_Lattice(Lattice self)\n"
- "Lattice::~Lattice() override\n"
+ { "delete_Lattice3D", _wrap_delete_Lattice3D, METH_O, "\n"
+ "delete_Lattice3D(Lattice3D self)\n"
+ "Lattice3D::~Lattice3D() override\n"
"\n"
""},
- { "Lattice_accept", _wrap_Lattice_accept, METH_VARARGS, "\n"
- "Lattice_accept(Lattice self, INodeVisitor * visitor)\n"
- "void Lattice::accept(INodeVisitor *visitor) const override\n"
+ { "Lattice3D_accept", _wrap_Lattice3D_accept, METH_VARARGS, "\n"
+ "Lattice3D_accept(Lattice3D self, INodeVisitor * visitor)\n"
+ "void Lattice3D::accept(INodeVisitor *visitor) const override\n"
"\n"
""},
- { "Lattice_transformed", _wrap_Lattice_transformed, METH_VARARGS, "\n"
- "Lattice_transformed(Lattice self, Transform3D const & transform) -> Lattice\n"
- "Lattice Lattice::transformed(const Transform3D &transform) const\n"
+ { "Lattice3D_transformed", _wrap_Lattice3D_transformed, METH_VARARGS, "\n"
+ "Lattice3D_transformed(Lattice3D self, Transform3D const & transform) -> Lattice3D\n"
+ "Lattice3D Lattice3D::transformed(const Transform3D &transform) const\n"
"\n"
"Creates transformed lattice. \n"
"\n"
""},
- { "Lattice_initialize", _wrap_Lattice_initialize, METH_O, "\n"
- "Lattice_initialize(Lattice self)\n"
- "void Lattice::initialize() const\n"
+ { "Lattice3D_initialize", _wrap_Lattice3D_initialize, METH_O, "\n"
+ "Lattice3D_initialize(Lattice3D self)\n"
+ "void Lattice3D::initialize()\n"
"\n"
"Initializes cached data. \n"
"\n"
""},
- { "Lattice_getBasisVectorA", _wrap_Lattice_getBasisVectorA, METH_O, "\n"
- "Lattice_getBasisVectorA(Lattice self) -> kvector_t\n"
- "kvector_t Lattice::getBasisVectorA() const\n"
+ { "Lattice3D_getBasisVectorA", _wrap_Lattice3D_getBasisVectorA, METH_O, "\n"
+ "Lattice3D_getBasisVectorA(Lattice3D self) -> kvector_t\n"
+ "kvector_t Lattice3D::getBasisVectorA() const\n"
"\n"
"Returns basis vector a. \n"
"\n"
""},
- { "Lattice_getBasisVectorB", _wrap_Lattice_getBasisVectorB, METH_O, "\n"
- "Lattice_getBasisVectorB(Lattice self) -> kvector_t\n"
- "kvector_t Lattice::getBasisVectorB() const\n"
+ { "Lattice3D_getBasisVectorB", _wrap_Lattice3D_getBasisVectorB, METH_O, "\n"
+ "Lattice3D_getBasisVectorB(Lattice3D self) -> kvector_t\n"
+ "kvector_t Lattice3D::getBasisVectorB() const\n"
"\n"
"Returns basis vector b. \n"
"\n"
""},
- { "Lattice_getBasisVectorC", _wrap_Lattice_getBasisVectorC, METH_O, "\n"
- "Lattice_getBasisVectorC(Lattice self) -> kvector_t\n"
- "kvector_t Lattice::getBasisVectorC() const\n"
+ { "Lattice3D_getBasisVectorC", _wrap_Lattice3D_getBasisVectorC, METH_O, "\n"
+ "Lattice3D_getBasisVectorC(Lattice3D self) -> kvector_t\n"
+ "kvector_t Lattice3D::getBasisVectorC() const\n"
"\n"
"Returns basis vector c. \n"
"\n"
""},
- { "Lattice_resetBasis", _wrap_Lattice_resetBasis, METH_VARARGS, "\n"
- "Lattice_resetBasis(Lattice self, kvector_t a1, kvector_t a2, kvector_t a3)\n"
- "void Lattice::resetBasis(const kvector_t a1, const kvector_t a2, const kvector_t a3)\n"
- "\n"
- "Resets the basis vectors. \n"
+ { "Lattice3D_getMillerDirection", _wrap_Lattice3D_getMillerDirection, METH_VARARGS, "\n"
+ "Lattice3D_getMillerDirection(Lattice3D self, double h, double k, double l) -> kvector_t\n"
+ "kvector_t Lattice3D::getMillerDirection(double h, double k, double l) const\n"
"\n"
- ""},
- { "Lattice_getMillerDirection", _wrap_Lattice_getMillerDirection, METH_VARARGS, "\n"
- "Lattice_getMillerDirection(Lattice self, double h, double k, double l) -> kvector_t\n"
- "kvector_t Lattice::getMillerDirection(double h, double k, double l) const\n"
+ "Returns normalized direction corresponding to the given Miller indices.\n"
"\n"
- "Returns normalized direction corresponding to the given Miller indices. \n"
+ "Currently unused but may be useful for checks. \n"
"\n"
""},
- { "Lattice_volume", _wrap_Lattice_volume, METH_O, "\n"
- "Lattice_volume(Lattice self) -> double\n"
- "double Lattice::volume() const\n"
+ { "Lattice3D_unitCellVolume", _wrap_Lattice3D_unitCellVolume, METH_O, "\n"
+ "Lattice3D_unitCellVolume(Lattice3D self) -> double\n"
+ "double Lattice3D::unitCellVolume() const\n"
"\n"
"Returns the volume of the unit cell. \n"
"\n"
""},
- { "Lattice_getReciprocalLatticeBasis", _wrap_Lattice_getReciprocalLatticeBasis, METH_VARARGS, "\n"
- "Lattice_getReciprocalLatticeBasis(Lattice self, kvector_t b1, kvector_t b2, kvector_t b3)\n"
- "void Lattice::getReciprocalLatticeBasis(kvector_t &b1, kvector_t &b2, kvector_t &b3) const\n"
- "\n"
- "Returns the reciprocal basis vectors. \n"
+ { "Lattice3D_getReciprocalLatticeBasis", _wrap_Lattice3D_getReciprocalLatticeBasis, METH_VARARGS, "\n"
+ "Lattice3D_getReciprocalLatticeBasis(Lattice3D self, kvector_t ra, kvector_t rb, kvector_t rc)\n"
+ "void Lattice3D::getReciprocalLatticeBasis(kvector_t &ra, kvector_t &rb, kvector_t &rc) const\n"
"\n"
- ""},
- { "Lattice_getNearestLatticeVectorCoordinates", _wrap_Lattice_getNearestLatticeVectorCoordinates, METH_VARARGS, "\n"
- "Lattice_getNearestLatticeVectorCoordinates(Lattice self, kvector_t vector_in) -> ivector_t\n"
- "ivector_t Lattice::getNearestLatticeVectorCoordinates(const kvector_t vector_in) const\n"
+ "Returns the reciprocal basis vectors.\n"
"\n"
- "Returns the nearest lattice point from a given vector. \n"
+ "Currently only used in tests. \n"
"\n"
""},
- { "Lattice_getNearestReciprocalLatticeVectorCoordinates", _wrap_Lattice_getNearestReciprocalLatticeVectorCoordinates, METH_VARARGS, "\n"
- "Lattice_getNearestReciprocalLatticeVectorCoordinates(Lattice self, kvector_t vector_in) -> ivector_t\n"
- "ivector_t Lattice::getNearestReciprocalLatticeVectorCoordinates(const kvector_t vector_in) const\n"
+ { "Lattice3D_getNearestReciprocalLatticeVectorCoordinates", _wrap_Lattice3D_getNearestReciprocalLatticeVectorCoordinates, METH_VARARGS, "\n"
+ "Lattice3D_getNearestReciprocalLatticeVectorCoordinates(Lattice3D self, kvector_t q) -> ivector_t\n"
+ "ivector_t Lattice3D::getNearestReciprocalLatticeVectorCoordinates(const kvector_t q) const\n"
"\n"
"Returns the nearest reciprocal lattice point from a given vector. \n"
"\n"
""},
- { "Lattice_reciprocalLatticeVectorsWithinRadius", _wrap_Lattice_reciprocalLatticeVectorsWithinRadius, METH_VARARGS, "\n"
- "Lattice_reciprocalLatticeVectorsWithinRadius(Lattice self, kvector_t input_vector, double radius) -> vector_kvector_t\n"
- "std::vector< kvector_t > Lattice::reciprocalLatticeVectorsWithinRadius(const kvector_t input_vector, double radius) const\n"
+ { "Lattice3D_reciprocalLatticeVectorsWithinRadius", _wrap_Lattice3D_reciprocalLatticeVectorsWithinRadius, METH_VARARGS, "\n"
+ "Lattice3D_reciprocalLatticeVectorsWithinRadius(Lattice3D self, kvector_t q, double dq) -> vector_kvector_t\n"
+ "std::vector< kvector_t > Lattice3D::reciprocalLatticeVectorsWithinRadius(const kvector_t q, double dq) const\n"
"\n"
- "Computes a list of reciprocal lattice vectors within a specified distance of a given vector. \n"
+ "Returns a list of reciprocal lattice vectors within distance dq of a vector q. \n"
"\n"
""},
- { "Lattice_setSelectionRule", _wrap_Lattice_setSelectionRule, METH_VARARGS, "\n"
- "Lattice_setSelectionRule(Lattice self, ISelectionRule p_selection_rule)\n"
- "void Lattice::setSelectionRule(const ISelectionRule &p_selection_rule)\n"
+ { "Lattice3D_setSelectionRule", _wrap_Lattice3D_setSelectionRule, METH_VARARGS, "\n"
+ "Lattice3D_setSelectionRule(Lattice3D self, ISelectionRule selection_rule)\n"
+ "void Lattice3D::setSelectionRule(const ISelectionRule &selection_rule)\n"
"\n"
"Sets a selection rule for the reciprocal vectors. \n"
"\n"
""},
- { "Lattice_createCubicLattice", _wrap_Lattice_createCubicLattice, METH_O, "Lattice_createCubicLattice(double a) -> Lattice"},
- { "Lattice_createFCCLattice", _wrap_Lattice_createFCCLattice, METH_O, "Lattice_createFCCLattice(double a) -> Lattice"},
- { "Lattice_createHexagonalLattice", _wrap_Lattice_createHexagonalLattice, METH_VARARGS, "Lattice_createHexagonalLattice(double a, double c) -> Lattice"},
- { "Lattice_createHCPLattice", _wrap_Lattice_createHCPLattice, METH_VARARGS, "Lattice_createHCPLattice(double a, double c) -> Lattice"},
- { "Lattice_createTetragonalLattice", _wrap_Lattice_createTetragonalLattice, METH_VARARGS, "Lattice_createTetragonalLattice(double a, double c) -> Lattice"},
- { "Lattice_createBCTLattice", _wrap_Lattice_createBCTLattice, METH_VARARGS, "Lattice_createBCTLattice(double a, double c) -> Lattice"},
- { "Lattice_onChange", _wrap_Lattice_onChange, METH_O, "\n"
- "Lattice_onChange(Lattice self)\n"
- "void Lattice::onChange() override\n"
- "\n"
- ""},
- { "Lattice_swigregister", Lattice_swigregister, METH_O, NULL},
- { "Lattice_swiginit", Lattice_swiginit, METH_VARARGS, NULL},
+ { "Lattice3D_swigregister", Lattice3D_swigregister, METH_O, NULL},
+ { "Lattice3D_swiginit", Lattice3D_swiginit, METH_VARARGS, NULL},
{ "Lattice2D_clone", _wrap_Lattice2D_clone, METH_O, "\n"
"Lattice2D_clone(Lattice2D self) -> Lattice2D\n"
"virtual Lattice2D* Lattice2D::clone() const =0\n"
@@ -77245,19 +75673,46 @@ static PyMethodDef SwigMethods[] = {
{ "delete_HexagonalLattice", _wrap_delete_HexagonalLattice, METH_O, "delete_HexagonalLattice(HexagonalLattice self)"},
{ "HexagonalLattice_swigregister", HexagonalLattice_swigregister, METH_O, NULL},
{ "HexagonalLattice_swiginit", HexagonalLattice_swiginit, METH_VARARGS, NULL},
- { "createFCCLattice", _wrap_createFCCLattice, METH_VARARGS, "\n"
- "createFCCLattice(double lattice_constant, ILatticeOrientation orientation) -> Lattice\n"
- "Lattice LatticeUtils::createFCCLattice(double lattice_constant, const ILatticeOrientation &orientation)\n"
+ { "createCubicLattice", _wrap_createCubicLattice, METH_O, "\n"
+ "createCubicLattice(double a) -> Lattice3D\n"
+ "Lattice3D bake::createCubicLattice(double a)\n"
+ "\n"
+ "Returns a primitive cubic (cP) lattice with edge length a. \n"
+ "\n"
+ ""},
+ { "createFCCLattice", _wrap_createFCCLattice, METH_O, "\n"
+ "createFCCLattice(double a) -> Lattice3D\n"
+ "Lattice3D bake::createFCCLattice(double a)\n"
+ "\n"
+ "Returns a face-centered cubic (cF) lattice with edge length a. \n"
+ "\n"
+ ""},
+ { "createHexagonalLattice", _wrap_createHexagonalLattice, METH_VARARGS, "\n"
+ "createHexagonalLattice(double a, double c) -> Lattice3D\n"
+ "Lattice3D bake::createHexagonalLattice(double a, double c)\n"
+ "\n"
+ "Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c. \n"
"\n"
""},
{ "createHCPLattice", _wrap_createHCPLattice, METH_VARARGS, "\n"
- "createHCPLattice(double a, double c, ILatticeOrientation orientation) -> Lattice\n"
- "Lattice LatticeUtils::createHCPLattice(double a, double c, const ILatticeOrientation &orientation)\n"
+ "createHCPLattice(double a, double c) -> Lattice3D\n"
+ "Lattice3D bake::createHCPLattice(double a, double c)\n"
+ "\n"
+ "TODO: Clarify how this is meant: HCP is not a Bravais lattice. \n"
+ "\n"
+ ""},
+ { "createTetragonalLattice", _wrap_createTetragonalLattice, METH_VARARGS, "\n"
+ "createTetragonalLattice(double a, double c) -> Lattice3D\n"
+ "Lattice3D bake::createTetragonalLattice(double a, double c)\n"
+ "\n"
+ "Returns a primitive tetragonal (tP) lattice with square base edge a and height c. \n"
"\n"
""},
{ "createBCTLattice", _wrap_createBCTLattice, METH_VARARGS, "\n"
- "createBCTLattice(double a, double c, ILatticeOrientation orientation) -> Lattice\n"
- "Lattice LatticeUtils::createBCTLattice(double a, double c, const ILatticeOrientation &orientation)\n"
+ "createBCTLattice(double a, double c) -> Lattice3D\n"
+ "Lattice3D bake::createBCTLattice(double a, double c)\n"
+ "\n"
+ "Returns a body-centered cubic (cI) lattice with edge length a. TODO: Clarify meaning of c \n"
"\n"
""},
{ "new_ISampleBuilder", _wrap_new_ISampleBuilder, METH_O, "\n"
@@ -77319,9 +75774,6 @@ static PyMethodDef SwigMethods_proxydocs[] = {
/* -------- TYPE CONVERSION AND EQUIVALENCE RULES (BEGIN) -------- */
-static void *_p_ParticleLayoutTo_p_ILayout(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ILayout *) ((ParticleLayout *) x));
-}
static void *_p_RotationYTo_p_IRotation(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IRotation *) ((RotationY *) x));
}
@@ -77529,20 +75981,17 @@ static void *_p_ParameterDistributionTo_p_IParameterized(void *x, int *SWIGUNUSE
static void *_p_ParticleDistributionTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IAbstractParticle *) ((ParticleDistribution *) x));
}
-static void *_p_FTDistribution1DGaussTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *)(IFTDistribution1D *) ((FTDistribution1DGauss *) x));
-}
static void *_p_FTDecayFunction1DGaussTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(IFTDecayFunction1D *) ((FTDecayFunction1DGauss *) x));
}
+static void *_p_FTDistribution1DGaussTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((IParameterized *) (INode *)(IFTDistribution1D *) ((FTDistribution1DGauss *) x));
+}
static void *_p_InterferenceFunctionNoneTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IInterferenceFunction *) ((InterferenceFunctionNone *) x));
}
static void *_p_ParticleLayoutTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *)(ISample *)(ILayout *) ((ParticleLayout *) x));
-}
-static void *_p_ILayoutTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *)(ISample *) ((ILayout *) x));
+ return (void *)((IParameterized *) (INode *)(ISample *) ((ParticleLayout *) x));
}
static void *_p_FormFactorHemiEllipsoidTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *) ((FormFactorHemiEllipsoid *) x));
@@ -77601,12 +76050,12 @@ static void *_p_FTDistribution2DConeTo_p_IParameterized(void *x, int *SWIGUNUSED
static void *_p_ParticleCoreShellTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IAbstractParticle *)(IParticle *) ((ParticleCoreShell *) x));
}
-static void *_p_IProfileRectangularRippleTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *)(IProfileRipple *) ((IProfileRectangularRipple *) x));
-}
static void *_p_ISawtoothRippleTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *)(IProfileRipple *) ((ISawtoothRipple *) x));
}
+static void *_p_IProfileRectangularRippleTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *)(IProfileRipple *) ((IProfileRectangularRipple *) x));
+}
static void *_p_FormFactorFullSphereTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *) ((FormFactorFullSphere *) x));
}
@@ -77670,9 +76119,6 @@ static void *_p_RotationZTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmem
static void *_p_IFormFactorBornTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *) ((IFormFactorBorn *) x));
}
-static void *_p_IClusteredParticlesTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *)(ISample *) ((IClusteredParticles *) x));
-}
static void *_p_ISampleBuilderTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) ((ISampleBuilder *) x));
}
@@ -77779,7 +76225,7 @@ static void *_p_FormFactorCrystalTo_p_IParameterized(void *x, int *SWIGUNUSEDPAR
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *) ((FormFactorCrystal *) x));
}
static void *_p_CrystalTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *)(ISample *)(IClusteredParticles *) ((Crystal *) x));
+ return (void *)((IParameterized *) (INode *)(ISample *) ((Crystal *) x));
}
static void *_p_MesoCrystalTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IAbstractParticle *)(IParticle *) ((MesoCrystal *) x));
@@ -77790,6 +76236,9 @@ static void *_p_ICosineRippleTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(ne
static void *_p_IProfileRippleTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *) ((IProfileRipple *) x));
}
+static void *_p_Lattice3DTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((IParameterized *) (INode *) ((Lattice3D *) x));
+}
static void *_p_IFTDistribution2DTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *) ((IFTDistribution2D *) x));
}
@@ -77832,9 +76281,6 @@ static void *_p_FormFactorLongBoxLorentzTo_p_IParameterized(void *x, int *SWIGUN
static void *_p_FormFactorSawtoothRippleLorentzTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(ISample *)(IFormFactor *)(IFormFactorBorn *)(IProfileRipple *)(ISawtoothRipple *) ((FormFactorSawtoothRippleLorentz *) x));
}
-static void *_p_LatticeTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IParameterized *) (INode *) ((Lattice *) x));
-}
static void *_p_BasicLatticeTo_p_IParameterized(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IParameterized *) (INode *)(Lattice2D *) ((BasicLattice *) x));
}
@@ -77892,9 +76338,6 @@ static void *_p_ParticleTo_p_IAbstractParticle(void *x, int *SWIGUNUSEDPARM(newm
static void *_p_ParticleCoreShellTo_p_IAbstractParticle(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IAbstractParticle *) (IParticle *) ((ParticleCoreShell *) x));
}
-static void *_p_MillerIndexOrientationTo_p_ILatticeOrientation(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ILatticeOrientation *) ((MillerIndexOrientation *) x));
-}
static void *_p_FormFactorPrism3To_p_IFormFactorPrism(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IFormFactorPrism *) ((FormFactorPrism3 *) x));
}
@@ -77938,10 +76381,7 @@ static void *_p_InterferenceFunctionNoneTo_p_ICloneable(void *x, int *SWIGUNUSED
return (void *)((ICloneable *) (ISample *)(IInterferenceFunction *) ((InterferenceFunctionNone *) x));
}
static void *_p_ParticleLayoutTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ICloneable *) (ISample *)(ILayout *) ((ParticleLayout *) x));
-}
-static void *_p_ILayoutTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ICloneable *) (ISample *) ((ILayout *) x));
+ return (void *)((ICloneable *) (ISample *) ((ParticleLayout *) x));
}
static void *_p_FormFactorHemiEllipsoidTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ICloneable *) (ISample *)(IFormFactor *)(IFormFactorBorn *) ((FormFactorHemiEllipsoid *) x));
@@ -78066,9 +76506,6 @@ static void *_p_RotationZTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)
static void *_p_IFormFactorBornTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ICloneable *) (ISample *)(IFormFactor *) ((IFormFactorBorn *) x));
}
-static void *_p_IClusteredParticlesTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ICloneable *) (ISample *) ((IClusteredParticles *) x));
-}
static void *_p_IAbstractParticleTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ICloneable *) (ISample *) ((IAbstractParticle *) x));
}
@@ -78175,7 +76612,7 @@ static void *_p_FormFactorCrystalTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(ne
return (void *)((ICloneable *) (ISample *)(IFormFactor *) ((FormFactorCrystal *) x));
}
static void *_p_CrystalTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ICloneable *) (ISample *)(IClusteredParticles *) ((Crystal *) x));
+ return (void *)((ICloneable *) (ISample *) ((Crystal *) x));
}
static void *_p_MesoCrystalTo_p_ICloneable(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ICloneable *) (ISample *)(IAbstractParticle *)(IParticle *) ((MesoCrystal *) x));
@@ -78282,9 +76719,6 @@ static void *_p_FormFactorCosineRippleGaussTo_p_IProfileRipple(void *x, int *SWI
static void *_p_FormFactorSawtoothRippleGaussTo_p_IProfileRipple(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((IProfileRipple *) (ISawtoothRipple *) ((FormFactorSawtoothRippleGauss *) x));
}
-static void *_p_CrystalTo_p_IClusteredParticles(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((IClusteredParticles *) ((Crystal *) x));
-}
static void *_p_SimpleSelectionRuleTo_p_ISelectionRule(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISelectionRule *) ((SimpleSelectionRule *) x));
}
@@ -78313,10 +76747,7 @@ static void *_p_InterferenceFunctionNoneTo_p_INode(void *x, int *SWIGUNUSEDPARM(
return (void *)((INode *) (ISample *)(IInterferenceFunction *) ((InterferenceFunctionNone *) x));
}
static void *_p_ParticleLayoutTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) (ISample *)(ILayout *) ((ParticleLayout *) x));
-}
-static void *_p_ILayoutTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) (ISample *) ((ILayout *) x));
+ return (void *)((INode *) (ISample *) ((ParticleLayout *) x));
}
static void *_p_FormFactorHemiEllipsoidTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *)(IFormFactorBorn *) ((FormFactorHemiEllipsoid *) x));
@@ -78426,12 +76857,12 @@ static void *_p_FTDistribution2DGaussTo_p_INode(void *x, int *SWIGUNUSEDPARM(new
static void *_p_FTDecayFunction2DGaussTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (IFTDecayFunction2D *) ((FTDecayFunction2DGauss *) x));
}
-static void *_p_RotationYTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) (IRotation *) ((RotationY *) x));
-}
static void *_p_FormFactorCantellatedCubeTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *)(IFormFactorBorn *)(IFormFactorPolyhedron *) ((FormFactorCantellatedCube *) x));
}
+static void *_p_RotationYTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((INode *) (IRotation *) ((RotationY *) x));
+}
static void *_p_FormFactorTruncatedCubeTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *)(IFormFactorBorn *)(IFormFactorPolyhedron *) ((FormFactorTruncatedCube *) x));
}
@@ -78441,9 +76872,6 @@ static void *_p_RotationZTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
static void *_p_IFormFactorBornTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *) ((IFormFactorBorn *) x));
}
-static void *_p_IClusteredParticlesTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) (ISample *) ((IClusteredParticles *) x));
-}
static void *_p_IAbstractParticleTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *) ((IAbstractParticle *) x));
}
@@ -78543,12 +76971,12 @@ static void *_p_InterferenceFunctionRadialParaCrystalTo_p_INode(void *x, int *SW
static void *_p_InterferenceFunction2DParaCrystalTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IInterferenceFunction *) ((InterferenceFunction2DParaCrystal *) x));
}
+static void *_p_CrystalTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((INode *) (ISample *) ((Crystal *) x));
+}
static void *_p_FormFactorCrystalTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *) ((FormFactorCrystal *) x));
}
-static void *_p_CrystalTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) (ISample *)(IClusteredParticles *) ((Crystal *) x));
-}
static void *_p_MesoCrystalTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IAbstractParticle *)(IParticle *) ((MesoCrystal *) x));
}
@@ -78558,6 +76986,9 @@ static void *_p_ICosineRippleTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory))
static void *_p_IProfileRippleTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *)(IFormFactorBorn *) ((IProfileRipple *) x));
}
+static void *_p_Lattice3DTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((INode *) ((Lattice3D *) x));
+}
static void *_p_IFTDistribution2DTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) ((IFTDistribution2D *) x));
}
@@ -78600,9 +77031,6 @@ static void *_p_FormFactorLongBoxLorentzTo_p_INode(void *x, int *SWIGUNUSEDPARM(
static void *_p_FormFactorSawtoothRippleLorentzTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (ISample *)(IFormFactor *)(IFormFactorBorn *)(IProfileRipple *)(ISawtoothRipple *) ((FormFactorSawtoothRippleLorentz *) x));
}
-static void *_p_LatticeTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) ((Lattice *) x));
-}
static void *_p_BasicLatticeTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (Lattice2D *) ((BasicLattice *) x));
}
@@ -78612,12 +77040,12 @@ static void *_p_SquareLatticeTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory))
static void *_p_HexagonalLatticeTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (Lattice2D *) ((HexagonalLattice *) x));
}
-static void *_p_FTDistribution1DTriangleTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((INode *) (IFTDistribution1D *) ((FTDistribution1DTriangle *) x));
-}
static void *_p_FTDecayFunction1DTriangleTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (IFTDecayFunction1D *) ((FTDecayFunction1DTriangle *) x));
}
+static void *_p_FTDistribution1DTriangleTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((INode *) (IFTDistribution1D *) ((FTDistribution1DTriangle *) x));
+}
static void *_p_RotationEulerTo_p_INode(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((INode *) (IRotation *) ((RotationEuler *) x));
}
@@ -78807,12 +77235,12 @@ static void *_p_SampleBuilderFactoryTo_p_IFactoryT_std__string_ISampleBuilder_t(
static void *_p_FormFactorBoxTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *)(IFormFactorPrism *) ((FormFactorBox *) x));
}
-static void *_p_MultiLayerTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ISample *) ((MultiLayer *) x));
-}
static void *_p_FormFactorSphereGaussianRadiusTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((FormFactorSphereGaussianRadius *) x));
}
+static void *_p_MultiLayerTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((ISample *) ((MultiLayer *) x));
+}
static void *_p_FormFactorSphereLogNormalRadiusTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((FormFactorSphereLogNormalRadius *) x));
}
@@ -78823,10 +77251,7 @@ static void *_p_InterferenceFunctionNoneTo_p_ISample(void *x, int *SWIGUNUSEDPAR
return (void *)((ISample *) (IInterferenceFunction *) ((InterferenceFunctionNone *) x));
}
static void *_p_ParticleLayoutTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ISample *) (ILayout *) ((ParticleLayout *) x));
-}
-static void *_p_ILayoutTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ISample *) ((ILayout *) x));
+ return (void *)((ISample *) ((ParticleLayout *) x));
}
static void *_p_FormFactorHemiEllipsoidTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((FormFactorHemiEllipsoid *) x));
@@ -78915,9 +77340,6 @@ static void *_p_FormFactorCantellatedCubeTo_p_ISample(void *x, int *SWIGUNUSEDPA
static void *_p_IFormFactorBornTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *) ((IFormFactorBorn *) x));
}
-static void *_p_IClusteredParticlesTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ISample *) ((IClusteredParticles *) x));
-}
static void *_p_ParticleTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IAbstractParticle *)(IParticle *) ((Particle *) x));
}
@@ -78982,7 +77404,7 @@ static void *_p_MesoCrystalTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory))
return (void *)((ISample *) (IAbstractParticle *)(IParticle *) ((MesoCrystal *) x));
}
static void *_p_CrystalTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ISample *) (IClusteredParticles *) ((Crystal *) x));
+ return (void *)((ISample *) ((Crystal *) x));
}
static void *_p_FormFactorCrystalTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *) ((FormFactorCrystal *) x));
@@ -78999,12 +77421,12 @@ static void *_p_ICosineRippleTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory
static void *_p_IProfileRippleTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((IProfileRipple *) x));
}
-static void *_p_FormFactorHollowSphereTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
- return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((FormFactorHollowSphere *) x));
-}
static void *_p_FormFactorGaussSphereTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((FormFactorGaussSphere *) x));
}
+static void *_p_FormFactorHollowSphereTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
+ return (void *)((ISample *) (IFormFactor *)(IFormFactorBorn *) ((FormFactorHollowSphere *) x));
+}
static void *_p_FormFactorWeightedTo_p_ISample(void *x, int *SWIGUNUSEDPARM(newmemory)) {
return (void *)((ISample *) (IFormFactor *) ((FormFactorWeighted *) x));
}
@@ -79123,7 +77545,6 @@ static swig_type_info _swigt__p_GaussFisherPeakShape = {"_p_GaussFisherPeakShape
static swig_type_info _swigt__p_HexagonalLattice = {"_p_HexagonalLattice", "HexagonalLattice *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IAbstractParticle = {"_p_IAbstractParticle", "IAbstractParticle *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_ICloneable = {"_p_ICloneable", "ICloneable *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_IClusteredParticles = {"_p_IClusteredParticles", "IClusteredParticles *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_ICosineRipple = {"_p_ICosineRipple", "ICosineRipple *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IFTDecayFunction1D = {"_p_IFTDecayFunction1D", "IFTDecayFunction1D *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IFTDecayFunction2D = {"_p_IFTDecayFunction2D", "IFTDecayFunction2D *", 0, 0, (void*)0, 0};
@@ -79136,8 +77557,6 @@ static swig_type_info _swigt__p_IFormFactorDecorator = {"_p_IFormFactorDecorator
static swig_type_info _swigt__p_IFormFactorPolyhedron = {"_p_IFormFactorPolyhedron", "IFormFactorPolyhedron *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IFormFactorPrism = {"_p_IFormFactorPrism", "IFormFactorPrism *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IInterferenceFunction = {"_p_IInterferenceFunction", "IInterferenceFunction *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_ILatticeOrientation = {"_p_ILatticeOrientation", "ILatticeOrientation *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_ILayout = {"_p_ILayout", "ILayout *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_INode = {"_p_INode", "INode *|std::vector< INode * >::value_type|std::vector< INode const * >::value_type", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_INodeVisitor = {"_p_INodeVisitor", "INodeVisitor *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IParameterized = {"_p_IParameterized", "IParameterized *", 0, 0, (void*)0, 0};
@@ -79164,17 +77583,15 @@ static swig_type_info _swigt__p_InterferenceFunctionRadialParaCrystal = {"_p_Int
static swig_type_info _swigt__p_InterferenceFunctionTwin = {"_p_InterferenceFunctionTwin", "InterferenceFunctionTwin *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IsotropicGaussPeakShape = {"_p_IsotropicGaussPeakShape", "IsotropicGaussPeakShape *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_IsotropicLorentzPeakShape = {"_p_IsotropicLorentzPeakShape", "IsotropicLorentzPeakShape *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_Lattice = {"_p_Lattice", "Lattice *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_Lattice2D = {"_p_Lattice2D", "Lattice2D *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_Lattice2D__ReciprocalBases = {"_p_Lattice2D__ReciprocalBases", "Lattice2D::ReciprocalBases *", 0, 0, (void*)0, 0};
+static swig_type_info _swigt__p_Lattice3D = {"_p_Lattice3D", "Lattice3D *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_Layer = {"_p_Layer", "Layer *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_LayerInterface = {"_p_LayerInterface", "LayerInterface *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_LayerRoughness = {"_p_LayerRoughness", "LayerRoughness *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_LorentzFisherPeakShape = {"_p_LorentzFisherPeakShape", "LorentzFisherPeakShape *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_Material = {"_p_Material", "Material *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_MesoCrystal = {"_p_MesoCrystal", "MesoCrystal *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_MillerIndex = {"_p_MillerIndex", "MillerIndex *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_MillerIndexOrientation = {"_p_MillerIndexOrientation", "MillerIndexOrientation *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_MisesFisherGaussPeakShape = {"_p_MisesFisherGaussPeakShape", "MisesFisherGaussPeakShape *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_MisesGaussPeakShape = {"_p_MisesGaussPeakShape", "MisesGaussPeakShape *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_MultiLayer = {"_p_MultiLayer", "MultiLayer *", 0, 0, (void*)0, 0};
@@ -79243,10 +77660,10 @@ static swig_type_info _swigt__p_std__vectorT_BasicVector3DT_double_t_std__alloca
static swig_type_info _swigt__p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t = {"_p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t", "std::vector< BasicVector3D< std::complex< double > > > *|std::vector< BasicVector3D< std::complex< double > >,std::allocator< BasicVector3D< std::complex< double > > > > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t = {"_p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t", "std::vector< HomogeneousRegion,std::allocator< HomogeneousRegion > > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t = {"_p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t", "std::vector< IFormFactor *,std::allocator< IFormFactor * > > *|std::vector< IFormFactor * > *", 0, 0, (void*)0, 0};
-static swig_type_info _swigt__p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t = {"_p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t", "std::vector< ILayout const *,std::allocator< ILayout const * > > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t = {"_p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t", "std::vector< INode const *,std::allocator< INode const * > > *|std::vector< INode const * > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t = {"_p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t", "std::vector< INode *,std::allocator< INode * > > *|std::vector< INode * > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t = {"_p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t", "std::vector< Material const *,std::allocator< Material const * > > *", 0, 0, (void*)0, 0};
+static swig_type_info _swigt__p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t = {"_p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t", "std::vector< ParticleLayout const *,std::allocator< ParticleLayout const * > > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_double_std__allocatorT_double_t_t = {"_p_std__vectorT_double_std__allocatorT_double_t_t", "std::vector< double,std::allocator< double > > *|std::vector< double > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_int_std__allocatorT_int_t_t = {"_p_std__vectorT_int_std__allocatorT_int_t_t", "std::vector< int,std::allocator< int > > *|std::vector< int > *", 0, 0, (void*)0, 0};
static swig_type_info _swigt__p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t = {"_p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t", "std::vector< std::complex< double > > *|std::vector< std::complex< double >,std::allocator< std::complex< double > > > *", 0, 0, (void*)0, 0};
@@ -79327,7 +77744,6 @@ static swig_type_info *swig_type_initial[] = {
&_swigt__p_HexagonalLattice,
&_swigt__p_IAbstractParticle,
&_swigt__p_ICloneable,
- &_swigt__p_IClusteredParticles,
&_swigt__p_ICosineRipple,
&_swigt__p_IFTDecayFunction1D,
&_swigt__p_IFTDecayFunction2D,
@@ -79340,8 +77756,6 @@ static swig_type_info *swig_type_initial[] = {
&_swigt__p_IFormFactorPolyhedron,
&_swigt__p_IFormFactorPrism,
&_swigt__p_IInterferenceFunction,
- &_swigt__p_ILatticeOrientation,
- &_swigt__p_ILayout,
&_swigt__p_INode,
&_swigt__p_INodeVisitor,
&_swigt__p_IParameterized,
@@ -79368,17 +77782,15 @@ static swig_type_info *swig_type_initial[] = {
&_swigt__p_InterferenceFunctionTwin,
&_swigt__p_IsotropicGaussPeakShape,
&_swigt__p_IsotropicLorentzPeakShape,
- &_swigt__p_Lattice,
&_swigt__p_Lattice2D,
&_swigt__p_Lattice2D__ReciprocalBases,
+ &_swigt__p_Lattice3D,
&_swigt__p_Layer,
&_swigt__p_LayerInterface,
&_swigt__p_LayerRoughness,
&_swigt__p_LorentzFisherPeakShape,
&_swigt__p_Material,
&_swigt__p_MesoCrystal,
- &_swigt__p_MillerIndex,
- &_swigt__p_MillerIndexOrientation,
&_swigt__p_MisesFisherGaussPeakShape,
&_swigt__p_MisesGaussPeakShape,
&_swigt__p_MultiLayer,
@@ -79447,10 +77859,10 @@ static swig_type_info *swig_type_initial[] = {
&_swigt__p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t,
&_swigt__p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t,
&_swigt__p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t,
- &_swigt__p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t,
&_swigt__p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t,
&_swigt__p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t,
&_swigt__p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t,
+ &_swigt__p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t,
&_swigt__p_std__vectorT_double_std__allocatorT_double_t_t,
&_swigt__p_std__vectorT_int_std__allocatorT_int_t_t,
&_swigt__p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t,
@@ -79530,8 +77942,7 @@ static swig_cast_info _swigc__p_FormFactorWeighted[] = { {&_swigt__p_FormFactor
static swig_cast_info _swigc__p_GaussFisherPeakShape[] = { {&_swigt__p_GaussFisherPeakShape, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_HexagonalLattice[] = { {&_swigt__p_HexagonalLattice, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IAbstractParticle[] = { {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_IAbstractParticle, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_IAbstractParticle, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_IAbstractParticle, 0, 0}, {&_swigt__p_IAbstractParticle, 0, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_IAbstractParticle, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_IAbstractParticle, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_IAbstractParticle, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_ICloneable[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_ICloneable, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DGauss, _p_FTDistribution1DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_ICloneable, 0, 0}, {&_swigt__p_ILayout, _p_ILayoutTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_ICloneable, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DCone, _p_FTDistribution2DConeTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_ICloneable, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_ICloneable, 0, 0}, {&_swigt__p_ISample, _p_ISampleTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DGate, _p_FTDistribution2DGateTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DVoigt, _p_FTDistribution1DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_IRotation, _p_IRotationTo_p_ICloneable, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_ICloneable, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_ICloneable, 0, 0}, {&_swigt__p_RotationY, _p_RotationYTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DGauss, _p_FTDistribution2DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_ICloneable, 0, 0}, {&_swigt__p_IClusteredParticles, _p_IClusteredParticlesTo_p_ICloneable, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_ICloneable, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_ICloneable, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_ICloneable, 0, 0}, {&_swigt__p_Lattice2D, _p_Lattice2DTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDistribution1D, _p_IFTDistribution1DTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDecayFunction1D, _p_IFTDecayFunction1DTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_ICloneable, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DCosine, _p_FTDistribution1DCosineTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DGate, _p_FTDistribution1DGateTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DVoigt, _p_FTDistribution2DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DCauchy, _p_FTDistribution1DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DCauchy, _p_FTDistribution2DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_ICloneable, 0, 0}, {&_swigt__p_ParameterPool, _p_ParameterPoolTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_ICloneable, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_ICloneable, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDistribution2D, _p_IFTDistribution2DTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDecayFunction2D, _p_IFTDecayFunction2DTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DTriangle, _p_FTDistribution1DTriangleTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_ICloneable, 0, 0}, {&_swigt__p_ICloneable, 0, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_ICloneable, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_IClusteredParticles[] = { {&_swigt__p_IClusteredParticles, 0, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_IClusteredParticles, 0, 0},{0, 0, 0, 0}};
+static swig_cast_info _swigc__p_ICloneable[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_ICloneable, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DGauss, _p_FTDistribution1DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_ICloneable, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DCone, _p_FTDistribution2DConeTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_ICloneable, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_ICloneable, 0, 0}, {&_swigt__p_ISample, _p_ISampleTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DGate, _p_FTDistribution2DGateTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DVoigt, _p_FTDistribution1DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_IRotation, _p_IRotationTo_p_ICloneable, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_ICloneable, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_ICloneable, 0, 0}, {&_swigt__p_RotationY, _p_RotationYTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DGauss, _p_FTDistribution2DGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_ICloneable, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_ICloneable, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_ICloneable, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_ICloneable, 0, 0}, {&_swigt__p_Lattice2D, _p_Lattice2DTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDistribution1D, _p_IFTDistribution1DTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDecayFunction1D, _p_IFTDecayFunction1DTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_ICloneable, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_ICloneable, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DCosine, _p_FTDistribution1DCosineTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DGate, _p_FTDistribution1DGateTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DVoigt, _p_FTDistribution2DVoigtTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DCauchy, _p_FTDistribution1DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution2DCauchy, _p_FTDistribution2DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_ICloneable, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_ICloneable, 0, 0}, {&_swigt__p_ParameterPool, _p_ParameterPoolTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_ICloneable, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_ICloneable, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_ICloneable, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDistribution2D, _p_IFTDistribution2DTo_p_ICloneable, 0, 0}, {&_swigt__p_IFTDecayFunction2D, _p_IFTDecayFunction2DTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_ICloneable, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDistribution1DTriangle, _p_FTDistribution1DTriangleTo_p_ICloneable, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_ICloneable, 0, 0}, {&_swigt__p_ICloneable, 0, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_ICloneable, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_ICosineRipple[] = { {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_ICosineRipple, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_ICosineRipple, 0, 0}, {&_swigt__p_ICosineRipple, 0, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_ICosineRipple, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IFTDecayFunction1D[] = { {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_IFTDecayFunction1D, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_IFTDecayFunction1D, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_IFTDecayFunction1D, 0, 0}, {&_swigt__p_IFTDecayFunction1D, 0, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_IFTDecayFunction1D, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IFTDecayFunction2D[] = { {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_IFTDecayFunction2D, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_IFTDecayFunction2D, 0, 0}, {&_swigt__p_IFTDecayFunction2D, 0, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_IFTDecayFunction2D, 0, 0},{0, 0, 0, 0}};
@@ -79544,17 +77955,15 @@ static swig_cast_info _swigc__p_IFormFactorDecorator[] = { {&_swigt__p_IFormFac
static swig_cast_info _swigc__p_IFormFactorPolyhedron[] = { {&_swigt__p_IFormFactorPolyhedron, 0, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_IFormFactorPolyhedron, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_IFormFactorPolyhedron, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IFormFactorPrism[] = { {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_IFormFactorPrism, 0, 0}, {&_swigt__p_IFormFactorPrism, 0, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_IFormFactorPrism, 0, 0}, {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_IFormFactorPrism, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IInterferenceFunction[] = { {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_IInterferenceFunction, 0, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_IInterferenceFunction, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_IInterferenceFunction, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_ILatticeOrientation[] = { {&_swigt__p_ILatticeOrientation, 0, 0, 0}, {&_swigt__p_MillerIndexOrientation, _p_MillerIndexOrientationTo_p_ILatticeOrientation, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_ILayout[] = { {&_swigt__p_ILayout, 0, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_ILayout, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_INode[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_INode, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_INode, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DGauss, _p_FTDistribution1DGaussTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_INode, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_INode, 0, 0}, {&_swigt__p_ILayout, _p_ILayoutTo_p_INode, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_INode, 0, 0}, {&_swigt__p_INode, 0, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_INode, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_INode, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_INode, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DCone, _p_FTDistribution2DConeTo_p_INode, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_INode, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_INode, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_INode, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_INode, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_INode, 0, 0}, {&_swigt__p_ISample, _p_ISampleTo_p_INode, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DGate, _p_FTDistribution2DGateTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DVoigt, _p_FTDistribution1DVoigtTo_p_INode, 0, 0}, {&_swigt__p_IRotation, _p_IRotationTo_p_INode, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_INode, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_INode, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_INode, 0, 0}, {&_swigt__p_RotationY, _p_RotationYTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DGauss, _p_FTDistribution2DGaussTo_p_INode, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_INode, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_INode, 0, 0}, {&_swigt__p_IClusteredParticles, _p_IClusteredParticlesTo_p_INode, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_INode, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_INode, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_INode, 0, 0}, {&_swigt__p_Lattice2D, _p_Lattice2DTo_p_INode, 0, 0}, {&_swigt__p_IFTDistribution1D, _p_IFTDistribution1DTo_p_INode, 0, 0}, {&_swigt__p_IFTDecayFunction1D, _p_IFTDecayFunction1DTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_INode, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_INode, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_INode, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_INode, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_INode, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DCosine, _p_FTDistribution1DCosineTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DGate, _p_FTDistribution1DGateTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DVoigt, _p_FTDistribution2DVoigtTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DCauchy, _p_FTDistribution1DCauchyTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DCauchy, _p_FTDistribution2DCauchyTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_INode, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_INode, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_INode, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_INode, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_INode, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_INode, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_INode, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_INode, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_INode, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_INode, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_INode, 0, 0}, {&_swigt__p_IFTDistribution2D, _p_IFTDistribution2DTo_p_INode, 0, 0}, {&_swigt__p_IFTDecayFunction2D, _p_IFTDecayFunction2DTo_p_INode, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_INode, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_INode, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_INode, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_INode, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_INode, 0, 0}, {&_swigt__p_Lattice, _p_LatticeTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DTriangle, _p_FTDistribution1DTriangleTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_INode, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_INode, 0, 0},{0, 0, 0, 0}};
+static swig_cast_info _swigc__p_INode[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_INode, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_INode, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DGauss, _p_FTDistribution1DGaussTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_INode, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_INode, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_INode, 0, 0}, {&_swigt__p_INode, 0, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_INode, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_INode, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_INode, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_INode, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DCone, _p_FTDistribution2DConeTo_p_INode, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_INode, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_INode, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_INode, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_INode, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_INode, 0, 0}, {&_swigt__p_ISample, _p_ISampleTo_p_INode, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DGate, _p_FTDistribution2DGateTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DVoigt, _p_FTDistribution1DVoigtTo_p_INode, 0, 0}, {&_swigt__p_IRotation, _p_IRotationTo_p_INode, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_INode, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_INode, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_INode, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_INode, 0, 0}, {&_swigt__p_RotationY, _p_RotationYTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DGauss, _p_FTDistribution2DGaussTo_p_INode, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_INode, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_INode, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_INode, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_INode, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_INode, 0, 0}, {&_swigt__p_Lattice2D, _p_Lattice2DTo_p_INode, 0, 0}, {&_swigt__p_IFTDistribution1D, _p_IFTDistribution1DTo_p_INode, 0, 0}, {&_swigt__p_IFTDecayFunction1D, _p_IFTDecayFunction1DTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_INode, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_INode, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_INode, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_INode, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_INode, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DCosine, _p_FTDistribution1DCosineTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DGate, _p_FTDistribution1DGateTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DVoigt, _p_FTDistribution2DVoigtTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DCauchy, _p_FTDistribution1DCauchyTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution2DCauchy, _p_FTDistribution2DCauchyTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_INode, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_INode, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_INode, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_INode, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_INode, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_INode, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_INode, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_INode, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_INode, 0, 0}, {&_swigt__p_Lattice3D, _p_Lattice3DTo_p_INode, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_INode, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_INode, 0, 0}, {&_swigt__p_IFTDistribution2D, _p_IFTDistribution2DTo_p_INode, 0, 0}, {&_swigt__p_IFTDecayFunction2D, _p_IFTDecayFunction2DTo_p_INode, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_INode, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_INode, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_INode, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_INode, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_INode, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_INode, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_INode, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_INode, 0, 0}, {&_swigt__p_FTDistribution1DTriangle, _p_FTDistribution1DTriangleTo_p_INode, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_INode, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_INode, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_INodeVisitor[] = { {&_swigt__p_INodeVisitor, 0, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_IParameterized[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_IParameterized, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_IParameterized, 0, 0}, {&_swigt__p_ParameterDistribution, _p_ParameterDistributionTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DGauss, _p_FTDistribution1DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_IParameterized, 0, 0}, {&_swigt__p_ILayout, _p_ILayoutTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_IParameterized, 0, 0}, {&_swigt__p_INode, _p_INodeTo_p_IParameterized, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DCone, _p_FTDistribution2DConeTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_IParameterized, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_IParameterized, 0, 0}, {&_swigt__p_ISample, _p_ISampleTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DGate, _p_FTDistribution2DGateTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DVoigt, _p_FTDistribution1DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_IRotation, _p_IRotationTo_p_IParameterized, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationY, _p_RotationYTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DGauss, _p_FTDistribution2DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_IParameterized, 0, 0}, {&_swigt__p_IClusteredParticles, _p_IClusteredParticlesTo_p_IParameterized, 0, 0}, {&_swigt__p_ISampleBuilder, _p_ISampleBuilderTo_p_IParameterized, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_IParameterized, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_IParameterized, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_IParameterized, 0, 0}, {&_swigt__p_Lattice2D, _p_Lattice2DTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDistribution1D, _p_IFTDistribution1DTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDecayFunction1D, _p_IFTDecayFunction1DTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_IParameterized, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DCosine, _p_FTDistribution1DCosineTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DGate, _p_FTDistribution1DGateTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DVoigt, _p_FTDistribution2DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DCauchy, _p_FTDistribution1DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DCauchy, _p_FTDistribution2DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_IParameterized, 0, 0}, {&_swigt__p_IParameterized, 0, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_IParameterized, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_IParameterized, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDistribution2D, _p_IFTDistribution2DTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDecayFunction2D, _p_IFTDecayFunction2DTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_Lattice, _p_LatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DTriangle, _p_FTDistribution1DTriangleTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_IParameterized, 0, 0},{0, 0, 0, 0}};
+static swig_cast_info _swigc__p_IParameterized[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_IParameterized, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_IParameterized, 0, 0}, {&_swigt__p_ParameterDistribution, _p_ParameterDistributionTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DGauss, _p_FTDecayFunction1DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DGauss, _p_FTDistribution1DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_IParameterized, 0, 0}, {&_swigt__p_INode, _p_INodeTo_p_IParameterized, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DCone, _p_FTDistribution2DConeTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_IParameterized, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_IParameterized, 0, 0}, {&_swigt__p_ISample, _p_ISampleTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DGate, _p_FTDistribution2DGateTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DVoigt, _p_FTDecayFunction1DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DVoigt, _p_FTDistribution1DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_IRotation, _p_IRotationTo_p_IParameterized, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationY, _p_RotationYTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction2DGauss, _p_FTDecayFunction2DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DGauss, _p_FTDistribution2DGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_IParameterized, 0, 0}, {&_swigt__p_ISampleBuilder, _p_ISampleBuilderTo_p_IParameterized, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_IParameterized, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_IParameterized, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_IParameterized, 0, 0}, {&_swigt__p_Lattice2D, _p_Lattice2DTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDistribution1D, _p_IFTDistribution1DTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDecayFunction1D, _p_IFTDecayFunction1DTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_IParameterized, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_IParameterized, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DCosine, _p_FTDistribution1DCosineTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DGate, _p_FTDistribution1DGateTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction2DVoigt, _p_FTDecayFunction2DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DVoigt, _p_FTDistribution2DVoigtTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DCauchy, _p_FTDistribution1DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DCauchy, _p_FTDecayFunction1DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution2DCauchy, _p_FTDistribution2DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction2DCauchy, _p_FTDecayFunction2DCauchyTo_p_IParameterized, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_IParameterized, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_IParameterized, 0, 0}, {&_swigt__p_IParameterized, 0, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_IParameterized, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_IParameterized, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_IParameterized, 0, 0}, {&_swigt__p_Lattice3D, _p_Lattice3DTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDistribution2D, _p_IFTDistribution2DTo_p_IParameterized, 0, 0}, {&_swigt__p_IFTDecayFunction2D, _p_IFTDecayFunction2DTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_IParameterized, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDistribution1DTriangle, _p_FTDistribution1DTriangleTo_p_IParameterized, 0, 0}, {&_swigt__p_FTDecayFunction1DTriangle, _p_FTDecayFunction1DTriangleTo_p_IParameterized, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_IParameterized, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IParticle[] = { {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_IParticle, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_IParticle, 0, 0}, {&_swigt__p_IParticle, 0, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_IParticle, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_IParticle, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IPeakShape[] = { {&_swigt__p_IPeakShape, 0, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_IPeakShape, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_IPeakShape, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_IPeakShape, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_IPeakShape, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_IPeakShape, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_IPeakShape, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IProfileRectangularRipple[] = { {&_swigt__p_IProfileRectangularRipple, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IProfileRipple[] = { {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_IProfileRipple, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_IProfileRipple, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_IProfileRipple, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_IProfileRipple, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_IProfileRipple, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_IProfileRipple, 0, 0}, {&_swigt__p_IProfileRipple, 0, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_IProfileRipple, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_IProfileRipple, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_IProfileRipple, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IRotation[] = { {&_swigt__p_RotationY, _p_RotationYTo_p_IRotation, 0, 0}, {&_swigt__p_RotationEuler, _p_RotationEulerTo_p_IRotation, 0, 0}, {&_swigt__p_RotationZ, _p_RotationZTo_p_IRotation, 0, 0}, {&_swigt__p_IRotation, 0, 0, 0}, {&_swigt__p_IdentityRotation, _p_IdentityRotationTo_p_IRotation, 0, 0}, {&_swigt__p_RotationX, _p_RotationXTo_p_IRotation, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_ISample[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_ISample, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_ISample, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_ISample, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_ISample, 0, 0}, {&_swigt__p_ILayout, _p_ILayoutTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_ISample, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_ISample, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_ISample, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_ISample, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_ISample, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_ISample, 0, 0}, {&_swigt__p_ISample, 0, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_ISample, 0, 0}, {&_swigt__p_IClusteredParticles, _p_IClusteredParticlesTo_p_ISample, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_ISample, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_ISample, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_ISample, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_ISample, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_ISample, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_ISample, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_ISample, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_ISample, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_ISample, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_ISample, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_ISample, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_ISample, 0, 0},{0, 0, 0, 0}};
+static swig_cast_info _swigc__p_ISample[] = { {&_swigt__p_FormFactorBox, _p_FormFactorBoxTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSphereGaussianRadius, _p_FormFactorSphereGaussianRadiusTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSphereLogNormalRadius, _p_FormFactorSphereLogNormalRadiusTo_p_ISample, 0, 0}, {&_swigt__p_MultiLayer, _p_MultiLayerTo_p_ISample, 0, 0}, {&_swigt__p_ParticleDistribution, _p_ParticleDistributionTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionNone, _p_InterferenceFunctionNoneTo_p_ISample, 0, 0}, {&_swigt__p_ParticleLayout, _p_ParticleLayoutTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorHemiEllipsoid, _p_FormFactorHemiEllipsoidTo_p_ISample, 0, 0}, {&_swigt__p_IPeakShape, _p_IPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_IsotropicGaussPeakShape, _p_IsotropicGaussPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_IsotropicLorentzPeakShape, _p_IsotropicLorentzPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_GaussFisherPeakShape, _p_GaussFisherPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_LorentzFisherPeakShape, _p_LorentzFisherPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_MisesFisherGaussPeakShape, _p_MisesFisherGaussPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_MisesGaussPeakShape, _p_MisesGaussPeakShapeTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorPrism3, _p_FormFactorPrism3To_p_ISample, 0, 0}, {&_swigt__p_FormFactorTetrahedron, _p_FormFactorTetrahedronTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorIcosahedron, _p_FormFactorIcosahedronTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorDodecahedron, _p_FormFactorDodecahedronTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCuboctahedron, _p_FormFactorCuboctahedronTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactorPolyhedron, _p_IFormFactorPolyhedronTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactorPrism, _p_IFormFactorPrismTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorPrism6, _p_FormFactorPrism6To_p_ISample, 0, 0}, {&_swigt__p_ParticleCoreShell, _p_ParticleCoreShellTo_p_ISample, 0, 0}, {&_swigt__p_IProfileRectangularRipple, _p_IProfileRectangularRippleTo_p_ISample, 0, 0}, {&_swigt__p_ISawtoothRipple, _p_ISawtoothRippleTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorFullSphere, _p_FormFactorFullSphereTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorTruncatedSphere, _p_FormFactorTruncatedSphereTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactor, _p_IFormFactorTo_p_ISample, 0, 0}, {&_swigt__p_ISample, 0, 0, 0}, {&_swigt__p_FormFactorLongBoxGauss, _p_FormFactorLongBoxGaussTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionHardDisk, _p_InterferenceFunctionHardDiskTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorTruncatedSpheroid, _p_FormFactorTruncatedSpheroidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorFullSpheroid, _p_FormFactorFullSpheroidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCantellatedCube, _p_FormFactorCantellatedCubeTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorTruncatedCube, _p_FormFactorTruncatedCubeTo_p_ISample, 0, 0}, {&_swigt__p_IFormFactorBorn, _p_IFormFactorBornTo_p_ISample, 0, 0}, {&_swigt__p_Particle, _p_ParticleTo_p_ISample, 0, 0}, {&_swigt__p_IParticle, _p_IParticleTo_p_ISample, 0, 0}, {&_swigt__p_IAbstractParticle, _p_IAbstractParticleTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCosineRippleBox, _p_FormFactorCosineRippleBoxTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCone, _p_FormFactorConeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionTwin, _p_InterferenceFunctionTwinTo_p_ISample, 0, 0}, {&_swigt__p_Layer, _p_LayerTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorAnisoPyramid, _p_FormFactorAnisoPyramidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorPyramid, _p_FormFactorPyramidTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorEllipsoidalCylinder, _p_FormFactorEllipsoidalCylinderTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCylinder, _p_FormFactorCylinderTo_p_ISample, 0, 0}, {&_swigt__p_ParticleComposition, _p_ParticleCompositionTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCosineRippleGauss, _p_FormFactorCosineRippleGaussTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_ISample, 0, 0}, {&_swigt__p_IInterferenceFunction, _p_IInterferenceFunctionTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCone6, _p_FormFactorCone6To_p_ISample, 0, 0}, {&_swigt__p_IFormFactorDecorator, _p_IFormFactorDecoratorTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorDot, _p_FormFactorDotTo_p_ISample, 0, 0}, {&_swigt__p_LayerRoughness, _p_LayerRoughnessTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionRadialParaCrystal, _p_InterferenceFunctionRadialParaCrystalTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction2DParaCrystal, _p_InterferenceFunction2DParaCrystalTo_p_ISample, 0, 0}, {&_swigt__p_MesoCrystal, _p_MesoCrystalTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCrystal, _p_FormFactorCrystalTo_p_ISample, 0, 0}, {&_swigt__p_ICosineRipple, _p_ICosineRippleTo_p_ISample, 0, 0}, {&_swigt__p_IProfileRipple, _p_IProfileRippleTo_p_ISample, 0, 0}, {&_swigt__p_Crystal, _p_CrystalTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorHollowSphere, _p_FormFactorHollowSphereTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorGaussSphere, _p_FormFactorGaussSphereTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorWeighted, _p_FormFactorWeightedTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorLongBoxLorentz, _p_FormFactorLongBoxLorentzTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorCosineRippleLorentz, _p_FormFactorCosineRippleLorentzTo_p_ISample, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionFinite3DLattice, _p_InterferenceFunctionFinite3DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunctionFinite2DLattice, _p_InterferenceFunctionFinite2DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction3DLattice, _p_InterferenceFunction3DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction2DSuperLattice, _p_InterferenceFunction2DSuperLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction2DLattice, _p_InterferenceFunction2DLatticeTo_p_ISample, 0, 0}, {&_swigt__p_InterferenceFunction1DLattice, _p_InterferenceFunction1DLatticeTo_p_ISample, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_ISampleBuilder[] = { {&_swigt__p_ISampleBuilder, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_ISawtoothRipple[] = { {&_swigt__p_FormFactorSawtoothRippleLorentz, _p_FormFactorSawtoothRippleLorentzTo_p_ISawtoothRipple, 0, 0}, {&_swigt__p_ISawtoothRipple, 0, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleBox, _p_FormFactorSawtoothRippleBoxTo_p_ISawtoothRipple, 0, 0}, {&_swigt__p_FormFactorSawtoothRippleGauss, _p_FormFactorSawtoothRippleGaussTo_p_ISawtoothRipple, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_ISelectionRule[] = { {&_swigt__p_ISelectionRule, 0, 0, 0}, {&_swigt__p_SimpleSelectionRule, _p_SimpleSelectionRuleTo_p_ISelectionRule, 0, 0},{0, 0, 0, 0}};
@@ -79572,17 +77981,15 @@ static swig_cast_info _swigc__p_InterferenceFunctionRadialParaCrystal[] = { {&_
static swig_cast_info _swigc__p_InterferenceFunctionTwin[] = { {&_swigt__p_InterferenceFunctionTwin, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IsotropicGaussPeakShape[] = { {&_swigt__p_IsotropicGaussPeakShape, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_IsotropicLorentzPeakShape[] = { {&_swigt__p_IsotropicLorentzPeakShape, 0, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_Lattice[] = { {&_swigt__p_Lattice, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_Lattice2D[] = { {&_swigt__p_Lattice2D, 0, 0, 0}, {&_swigt__p_BasicLattice, _p_BasicLatticeTo_p_Lattice2D, 0, 0}, {&_swigt__p_SquareLattice, _p_SquareLatticeTo_p_Lattice2D, 0, 0}, {&_swigt__p_HexagonalLattice, _p_HexagonalLatticeTo_p_Lattice2D, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_Lattice2D__ReciprocalBases[] = { {&_swigt__p_Lattice2D__ReciprocalBases, 0, 0, 0},{0, 0, 0, 0}};
+static swig_cast_info _swigc__p_Lattice3D[] = { {&_swigt__p_Lattice3D, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_Layer[] = { {&_swigt__p_Layer, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_LayerInterface[] = { {&_swigt__p_LayerInterface, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_LayerRoughness[] = { {&_swigt__p_LayerRoughness, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_LorentzFisherPeakShape[] = { {&_swigt__p_LorentzFisherPeakShape, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_Material[] = { {&_swigt__p_Material, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_MesoCrystal[] = { {&_swigt__p_MesoCrystal, 0, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_MillerIndex[] = { {&_swigt__p_MillerIndex, 0, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_MillerIndexOrientation[] = { {&_swigt__p_MillerIndexOrientation, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_MisesFisherGaussPeakShape[] = { {&_swigt__p_MisesFisherGaussPeakShape, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_MisesGaussPeakShape[] = { {&_swigt__p_MisesGaussPeakShape, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_MultiLayer[] = { {&_swigt__p_MultiLayer, 0, 0, 0},{0, 0, 0, 0}};
@@ -79651,10 +78058,10 @@ static swig_cast_info _swigc__p_std__vectorT_BasicVector3DT_double_t_std__alloca
static swig_cast_info _swigc__p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t[] = { {&_swigt__p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t[] = { {&_swigt__p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t[] = { {&_swigt__p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
-static swig_cast_info _swigc__p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t[] = { {&_swigt__p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t[] = { {&_swigt__p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t[] = { {&_swigt__p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t[] = { {&_swigt__p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
+static swig_cast_info _swigc__p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t[] = { {&_swigt__p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_double_std__allocatorT_double_t_t[] = { {&_swigt__p_std__vectorT_double_std__allocatorT_double_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_int_std__allocatorT_int_t_t[] = { {&_swigt__p_std__vectorT_int_std__allocatorT_int_t_t, 0, 0, 0},{0, 0, 0, 0}};
static swig_cast_info _swigc__p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t[] = { {&_swigt__p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
@@ -79735,7 +78142,6 @@ static swig_cast_info *swig_cast_initial[] = {
_swigc__p_HexagonalLattice,
_swigc__p_IAbstractParticle,
_swigc__p_ICloneable,
- _swigc__p_IClusteredParticles,
_swigc__p_ICosineRipple,
_swigc__p_IFTDecayFunction1D,
_swigc__p_IFTDecayFunction2D,
@@ -79748,8 +78154,6 @@ static swig_cast_info *swig_cast_initial[] = {
_swigc__p_IFormFactorPolyhedron,
_swigc__p_IFormFactorPrism,
_swigc__p_IInterferenceFunction,
- _swigc__p_ILatticeOrientation,
- _swigc__p_ILayout,
_swigc__p_INode,
_swigc__p_INodeVisitor,
_swigc__p_IParameterized,
@@ -79776,17 +78180,15 @@ static swig_cast_info *swig_cast_initial[] = {
_swigc__p_InterferenceFunctionTwin,
_swigc__p_IsotropicGaussPeakShape,
_swigc__p_IsotropicLorentzPeakShape,
- _swigc__p_Lattice,
_swigc__p_Lattice2D,
_swigc__p_Lattice2D__ReciprocalBases,
+ _swigc__p_Lattice3D,
_swigc__p_Layer,
_swigc__p_LayerInterface,
_swigc__p_LayerRoughness,
_swigc__p_LorentzFisherPeakShape,
_swigc__p_Material,
_swigc__p_MesoCrystal,
- _swigc__p_MillerIndex,
- _swigc__p_MillerIndexOrientation,
_swigc__p_MisesFisherGaussPeakShape,
_swigc__p_MisesGaussPeakShape,
_swigc__p_MultiLayer,
@@ -79855,10 +78257,10 @@ static swig_cast_info *swig_cast_initial[] = {
_swigc__p_std__vectorT_BasicVector3DT_std__complexT_double_t_t_std__allocatorT_BasicVector3DT_std__complexT_double_t_t_t_t,
_swigc__p_std__vectorT_HomogeneousRegion_std__allocatorT_HomogeneousRegion_t_t,
_swigc__p_std__vectorT_IFormFactor_p_std__allocatorT_IFormFactor_p_t_t,
- _swigc__p_std__vectorT_ILayout_const_p_std__allocatorT_ILayout_const_p_t_t,
_swigc__p_std__vectorT_INode_const_p_std__allocatorT_INode_const_p_t_t,
_swigc__p_std__vectorT_INode_p_std__allocatorT_INode_p_t_t,
_swigc__p_std__vectorT_Material_const_p_std__allocatorT_Material_const_p_t_t,
+ _swigc__p_std__vectorT_ParticleLayout_const_p_std__allocatorT_ParticleLayout_const_p_t_t,
_swigc__p_std__vectorT_double_std__allocatorT_double_t_t,
_swigc__p_std__vectorT_int_std__allocatorT_int_t_t,
_swigc__p_std__vectorT_std__complexT_double_t_std__allocatorT_std__complexT_double_t_t_t,
@@ -80619,9 +79021,6 @@ SWIG_init(void) {
SWIG_Python_SetConstant(d, "RoughnessModel_DEFAULT",SWIG_From_int(static_cast< int >(RoughnessModelWrap::DEFAULT)));
SWIG_Python_SetConstant(d, "RoughnessModel_TANH",SWIG_From_int(static_cast< int >(RoughnessModelWrap::TANH)));
SWIG_Python_SetConstant(d, "RoughnessModel_NEVOT_CROCE",SWIG_From_int(static_cast< int >(RoughnessModelWrap::NEVOT_CROCE)));
- SWIG_Python_SetConstant(d, "MillerIndexOrientation_QX",SWIG_From_int(static_cast< int >(MillerIndexOrientation::QX)));
- SWIG_Python_SetConstant(d, "MillerIndexOrientation_QY",SWIG_From_int(static_cast< int >(MillerIndexOrientation::QY)));
- SWIG_Python_SetConstant(d, "MillerIndexOrientation_QZ",SWIG_From_int(static_cast< int >(MillerIndexOrientation::QZ)));
#if PY_VERSION_HEX >= 0x03000000
return m;
#else