diff --git a/Core/Computation/ComputationStatus.h b/Core/Computation/ComputationStatus.h
index b92a5eb533cc20317c16e5b9655956fd292d9d00..fa2e34232812972fe76ecc206f7a4ca03b468be8 100644
--- a/Core/Computation/ComputationStatus.h
+++ b/Core/Computation/ComputationStatus.h
@@ -30,7 +30,11 @@ public:
void setRunning() { m_status = RUNNING; }
void setCompleted() { m_status = COMPLETED; }
- void setFailed(const std::string& message) { m_error_message = message; m_status = FAILED; }
+ void setFailed(const std::string& message)
+ {
+ m_error_message = message;
+ m_status = FAILED;
+ }
private:
enum ESimulationStatus { IDLE, RUNNING, COMPLETED, FAILED };
diff --git a/Core/Computation/DWBAComputation.cpp b/Core/Computation/DWBAComputation.cpp
index a7e4c1e40ce26e1f4d57bc4b323495d2bd5b4b73..ae638a405beade7cc392a86b142431b0c60d3119 100644
--- a/Core/Computation/DWBAComputation.cpp
+++ b/Core/Computation/DWBAComputation.cpp
@@ -38,7 +38,7 @@ DWBAComputation::DWBAComputation(const MultiLayer& multilayer, const SimulationO
bool polarized = m_processed_sample->containsMagneticMaterial();
for (const ProcessedLayout& layout : m_processed_sample->layouts()) {
m_single_computation.addLayoutComputation(
- new ParticleLayoutComputation(&layout, m_sim_options, polarized));
+ new ParticleLayoutComputation(layout, m_sim_options, polarized));
}
// scattering from rough surfaces in DWBA
if (m_processed_sample->hasRoughness())
diff --git a/Core/Computation/ParticleLayoutComputation.cpp b/Core/Computation/ParticleLayoutComputation.cpp
index b47d612fbcb4182328e34e3f70be20edb95078e0..91d52810cfd7ec819545c49797b0d54af358846f 100644
--- a/Core/Computation/ParticleLayoutComputation.cpp
+++ b/Core/Computation/ParticleLayoutComputation.cpp
@@ -21,40 +21,44 @@
#include "Sample/Interference/IInterferenceFunctionStrategy.h"
#include "Sample/Interference/SSCApproximationStrategy.h"
-namespace {
+namespace
+{
-std::unique_ptr<IInterferenceFunctionStrategy> processedInterferenceFunction(
- const ProcessedLayout* layout, const SimulationOptions& sim_params, bool polarized)
+std::unique_ptr<IInterferenceFunctionStrategy>
+processedInterferenceFunction(const ProcessedLayout& layout, const SimulationOptions& sim_params,
+ bool polarized)
{
- const IInterferenceFunction* p_iff = layout->interferenceFunction();
- if (p_iff && layout->numberOfSlices() > 1 && !p_iff->supportsMultilayer())
+ const IInterferenceFunction* p_iff = layout.interferenceFunction();
+ if (p_iff && layout.numberOfSlices() > 1 && !p_iff->supportsMultilayer())
throw std::runtime_error("LayoutStrategyBuilder::checkInterferenceFunction: "
"interference function does not support multiple layers");
auto p_radial_para = dynamic_cast<const InterferenceFunctionRadialParaCrystal*>(p_iff);
+ const std::vector<FormFactorCoherentSum>& weighted_formfactors = layout.formFactorList();
+
std::unique_ptr<IInterferenceFunctionStrategy> result;
if (p_radial_para && p_radial_para->kappa() > 0.0) {
double kappa = p_radial_para->kappa();
- result = std::make_unique<SSCApproximationStrategy>(sim_params, kappa, polarized);
+ result = std::make_unique<SSCApproximationStrategy>(weighted_formfactors, p_iff, sim_params,
+ polarized, kappa);
} else {
- result = std::make_unique<DecouplingApproximationStrategy>(sim_params, polarized);
+ result = std::make_unique<DecouplingApproximationStrategy>(weighted_formfactors, p_iff,
+ sim_params, polarized);
}
if (!result)
throw Exceptions::ClassInitializationException("Could not create appropriate result");
- result->init(layout->formFactorList(), p_iff);
return result;
}
} // namespace
-ParticleLayoutComputation::ParticleLayoutComputation(const ProcessedLayout* layout,
+ParticleLayoutComputation::ParticleLayoutComputation(const ProcessedLayout& layout,
const SimulationOptions& options,
bool polarized)
- : m_layout(layout)
- , m_region_map(layout->regionMap())
- , m_interference_function_strategy(processedInterferenceFunction(layout, options, polarized))
+ : m_layout(layout), m_region_map(layout.regionMap()),
+ m_interference_function_strategy(processedInterferenceFunction(layout, options, polarized))
{
}
@@ -63,12 +67,12 @@ ParticleLayoutComputation::~ParticleLayoutComputation() = default;
void ParticleLayoutComputation::compute(SimulationElement& elem) const
{
const double alpha_f = elem.getAlphaMean();
- const size_t n_layers = m_layout->numberOfSlices();
+ const size_t n_layers = m_layout.numberOfSlices();
if (n_layers > 1 && alpha_f < 0)
return; // zero for transmission with multilayers (n>1) # TODO: support transmission GISAS
- elem.addIntensity(m_interference_function_strategy->evaluate(elem) *
- m_layout->surfaceDensity());
+ elem.addIntensity(m_interference_function_strategy->evaluate(elem)
+ * m_layout.surfaceDensity());
}
void ParticleLayoutComputation::mergeRegionMap(
diff --git a/Core/Computation/ParticleLayoutComputation.h b/Core/Computation/ParticleLayoutComputation.h
index c7114bde059dbf61ad5fe035b7874cf7eec496f7..5c98591d4293d8cb2b53acd0780bc8faebe48860 100644
--- a/Core/Computation/ParticleLayoutComputation.h
+++ b/Core/Computation/ParticleLayoutComputation.h
@@ -32,7 +32,7 @@ class SimulationOptions;
class ParticleLayoutComputation final
{
public:
- ParticleLayoutComputation(const ProcessedLayout* p_layout, const SimulationOptions& options,
+ ParticleLayoutComputation(const ProcessedLayout& layout, const SimulationOptions& options,
bool polarized);
~ParticleLayoutComputation();
@@ -42,7 +42,7 @@ public:
void mergeRegionMap(std::map<size_t, std::vector<HomogeneousRegion>>& region_map) const;
private:
- const ProcessedLayout* m_layout;
+ const ProcessedLayout& m_layout;
const std::map<size_t, std::vector<HomogeneousRegion>> m_region_map;
std::unique_ptr<const IInterferenceFunctionStrategy> m_interference_function_strategy;
};
diff --git a/Device/Unit/IUnitConverter.h b/Device/Unit/IUnitConverter.h
index e16f1fe5c05d1714e67c881ccaaca686b2f4b1e7..29ddc1f61ab2630536c6613cea6389494f1b0664 100644
--- a/Device/Unit/IUnitConverter.h
+++ b/Device/Unit/IUnitConverter.h
@@ -36,8 +36,8 @@ public:
const std::map<Axes::Units, const char*> axisUnitLabel = {
{Axes::Units::DEFAULT, "undefined"}, {Axes::Units::NBINS, "bin"}, {Axes::Units::RADIANS, "rad"},
- {Axes::Units::DEGREES, "deg"}, {Axes::Units::MM, "mm"}, {Axes::Units::QSPACE, "1/nm"},
- {Axes::Units::QXQY, "1/nm"}, {Axes::Units::RQ4, "nm^-4?"}};
+ {Axes::Units::DEGREES, "deg"}, {Axes::Units::MM, "mm"}, {Axes::Units::QSPACE, "1/nm"},
+ {Axes::Units::QXQY, "1/nm"}, {Axes::Units::RQ4, "nm^-4?"}};
//! Interface to provide axis translations to different units for simulation output
//! @ingroup simulation_internal
diff --git a/Sample/Interference/DecouplingApproximationStrategy.cpp b/Sample/Interference/DecouplingApproximationStrategy.cpp
index 8b9b7ea07d6a598de9e866276c528bcdb1f944cf..9af74b45a1ad88b73758f66c8e6c8839ff3537dd 100644
--- a/Sample/Interference/DecouplingApproximationStrategy.cpp
+++ b/Sample/Interference/DecouplingApproximationStrategy.cpp
@@ -24,9 +24,10 @@
using InterferenceFunctionUtils::PrecomputePolarizedFormFactors;
using InterferenceFunctionUtils::PrecomputeScalarFormFactors;
-DecouplingApproximationStrategy::DecouplingApproximationStrategy(SimulationOptions sim_params,
- bool polarized)
- : IInterferenceFunctionStrategy(sim_params, polarized)
+DecouplingApproximationStrategy::DecouplingApproximationStrategy(
+ const std::vector<FormFactorCoherentSum>& weighted_formfactors,
+ const IInterferenceFunction* p_iff, SimulationOptions sim_params, bool polarized)
+ : IInterferenceFunctionStrategy(weighted_formfactors, p_iff, sim_params, polarized)
{
}
diff --git a/Sample/Interference/DecouplingApproximationStrategy.h b/Sample/Interference/DecouplingApproximationStrategy.h
index fc7312756554434b809405aa079b81a62aebe8e6..4bb91db9aee4ed1bce6fb9fab3e8fb840c2292b4 100644
--- a/Sample/Interference/DecouplingApproximationStrategy.h
+++ b/Sample/Interference/DecouplingApproximationStrategy.h
@@ -26,7 +26,9 @@ class SimulationElement;
class DecouplingApproximationStrategy final : public IInterferenceFunctionStrategy
{
public:
- DecouplingApproximationStrategy(SimulationOptions sim_params, bool polarized);
+ DecouplingApproximationStrategy(const std::vector<FormFactorCoherentSum>& weighted_formfactors,
+ const IInterferenceFunction* p_iff,
+ SimulationOptions sim_params, bool polarized);
private:
double scalarCalculation(const SimulationElement& sim_element) const override;
diff --git a/Sample/Interference/IInterferenceFunctionStrategy.cpp b/Sample/Interference/IInterferenceFunctionStrategy.cpp
index cb4a6a9ddfac766aa7cb221e118873c0e00f9fb9..89cc44c9af0a52caa79ede41fdd599ae7af04752 100644
--- a/Sample/Interference/IInterferenceFunctionStrategy.cpp
+++ b/Sample/Interference/IInterferenceFunctionStrategy.cpp
@@ -19,19 +19,12 @@
#include "Sample/Aggregate/InterferenceFunctionNone.h"
#include "Sample/Fresnel/FormFactorCoherentSum.h"
-IInterferenceFunctionStrategy::IInterferenceFunctionStrategy(const SimulationOptions& sim_params,
- bool polarized)
+IInterferenceFunctionStrategy::IInterferenceFunctionStrategy(
+ const std::vector<FormFactorCoherentSum>& weighted_formfactors,
+ const IInterferenceFunction* p_iff, const SimulationOptions& sim_params, bool polarized)
: m_iff(nullptr), m_options(sim_params), m_polarized(polarized),
m_integrator(
make_integrator_miser(this, &IInterferenceFunctionStrategy::evaluate_for_fixed_angles, 2))
-{
-}
-
-IInterferenceFunctionStrategy::~IInterferenceFunctionStrategy() = default;
-
-void IInterferenceFunctionStrategy::init(
- const std::vector<FormFactorCoherentSum>& weighted_formfactors,
- const IInterferenceFunction* p_iff)
{
if (weighted_formfactors.empty())
throw Exceptions::ClassInitializationException(
@@ -41,10 +34,10 @@ void IInterferenceFunctionStrategy::init(
m_iff.reset(p_iff->clone());
else
m_iff.reset(new InterferenceFunctionNone());
-
- strategy_specific_post_init();
}
+IInterferenceFunctionStrategy::~IInterferenceFunctionStrategy() = default;
+
double IInterferenceFunctionStrategy::evaluate(const SimulationElement& sim_element) const
{
if (m_options.isIntegrate() && (sim_element.getSolidAngle() > 0.0))
@@ -82,5 +75,3 @@ double IInterferenceFunctionStrategy::evaluate_for_fixed_angles(double* fraction
SimulationElement sim_element = pars->pointElement(par0, par1);
return pars->getIntegrationFactor(par0, par1) * evaluateSinglePoint(sim_element);
}
-
-void IInterferenceFunctionStrategy::strategy_specific_post_init() {}
diff --git a/Sample/Interference/IInterferenceFunctionStrategy.h b/Sample/Interference/IInterferenceFunctionStrategy.h
index ba0a541a81c57adc184bc3ea60ef6193d651a249..842d41a80145f6c7f800157d570254e2656aafff 100644
--- a/Sample/Interference/IInterferenceFunctionStrategy.h
+++ b/Sample/Interference/IInterferenceFunctionStrategy.h
@@ -41,26 +41,23 @@ class SimulationElement;
class IInterferenceFunctionStrategy
{
public:
- IInterferenceFunctionStrategy(const SimulationOptions& sim_params, bool polarized);
+ IInterferenceFunctionStrategy(const std::vector<FormFactorCoherentSum>& weighted_formfactors,
+ const IInterferenceFunction* p_iff,
+ const SimulationOptions& sim_params, bool polarized);
virtual ~IInterferenceFunctionStrategy();
- //! Initializes the object with form factors and an interference function
- void init(const std::vector<FormFactorCoherentSum>& weighted_formfactors,
- const IInterferenceFunction* p_iff);
-
//! Calculates the intensity for scalar particles/interactions
double evaluate(const SimulationElement& sim_element) const;
protected:
std::vector<FormFactorCoherentSum> m_formfactor_wrappers;
std::unique_ptr<IInterferenceFunction> m_iff;
- SimulationOptions m_options;
+ const SimulationOptions m_options;
private:
double evaluateSinglePoint(const SimulationElement& sim_element) const;
double MCIntegratedEvaluate(const SimulationElement& sim_element) const;
double evaluate_for_fixed_angles(double* fractions, size_t dim, void* params) const;
- virtual void strategy_specific_post_init();
//! Evaluates the intensity in the scalar case
virtual double scalarCalculation(const SimulationElement& sim_element) const = 0;
//! Evaluates the intensity in the polarized case
diff --git a/Sample/Interference/SSCApproximationStrategy.cpp b/Sample/Interference/SSCApproximationStrategy.cpp
index 6040bbfff232ecf0e4fb6a9a1d7e56f2c00c2409..c30565cf5b7eceb1ce619900cabc4ad1408c4d24 100644
--- a/Sample/Interference/SSCApproximationStrategy.cpp
+++ b/Sample/Interference/SSCApproximationStrategy.cpp
@@ -20,13 +20,11 @@
using InterferenceFunctionUtils::PrecomputePolarizedFormFactors;
using InterferenceFunctionUtils::PrecomputeScalarFormFactors;
-SSCApproximationStrategy::SSCApproximationStrategy(SimulationOptions sim_params, double kappa,
- bool polarized)
- : IInterferenceFunctionStrategy(sim_params, polarized), m_helper(kappa)
-{
-}
-
-void SSCApproximationStrategy::strategy_specific_post_init()
+SSCApproximationStrategy::SSCApproximationStrategy(
+ const std::vector<FormFactorCoherentSum>& weighted_formfactors,
+ const IInterferenceFunction* p_iff, SimulationOptions sim_params, bool polarized, double kappa)
+ : IInterferenceFunctionStrategy(weighted_formfactors, p_iff, sim_params, polarized),
+ m_helper(kappa)
{
m_helper.init(m_formfactor_wrappers);
}
diff --git a/Sample/Interference/SSCApproximationStrategy.h b/Sample/Interference/SSCApproximationStrategy.h
index a40fca106e1731d78d93864fb22518cf278d28fa..0d4df12d676e9435c62a4f30b0f91f0169d519d6 100644
--- a/Sample/Interference/SSCApproximationStrategy.h
+++ b/Sample/Interference/SSCApproximationStrategy.h
@@ -26,10 +26,11 @@ class SimulationElement;
class SSCApproximationStrategy final : public IInterferenceFunctionStrategy
{
public:
- SSCApproximationStrategy(SimulationOptions sim_params, double kappa, bool polarized);
+ SSCApproximationStrategy(const std::vector<FormFactorCoherentSum>& weighted_formfactors,
+ const IInterferenceFunction* p_iff, SimulationOptions sim_params,
+ bool polarized, double kappa);
private:
- void strategy_specific_post_init() override;
double scalarCalculation(const SimulationElement& sim_element) const override;
double polarizedCalculation(const SimulationElement& sim_element) const override;
SSCAHelper m_helper;
diff --git a/auto/Wrap/doxygenCore.i b/auto/Wrap/doxygenCore.i
index a4115d39bc1ac587a61c88b1c3f9357ac110cbfa..5cbdf2f416319422e172f50ac1dff396929e020d 100644
--- a/auto/Wrap/doxygenCore.i
+++ b/auto/Wrap/doxygenCore.i
@@ -1241,7 +1241,7 @@ Computes the scattering contribution from one particle layout. Used by DWBAComp
C++ includes: ParticleLayoutComputation.h
";
-%feature("docstring") ParticleLayoutComputation::ParticleLayoutComputation "ParticleLayoutComputation::ParticleLayoutComputation(const ProcessedLayout *p_layout, const SimulationOptions &options, bool polarized)
+%feature("docstring") ParticleLayoutComputation::ParticleLayoutComputation "ParticleLayoutComputation::ParticleLayoutComputation(const ProcessedLayout &layout, const SimulationOptions &options, bool polarized)
";
%feature("docstring") ParticleLayoutComputation::~ParticleLayoutComputation "ParticleLayoutComputation::~ParticleLayoutComputation()
@@ -2483,7 +2483,10 @@ Returns default units to convert to.
";
-// File: namespace_0d100.xml
+// File: namespace_0d23.xml
+
+
+// File: namespace_0d27.xml
// File: namespace_0d29.xml
@@ -2492,43 +2495,43 @@ Returns default units to convert to.
// File: namespace_0d31.xml
-// File: namespace_0d33.xml
+// File: namespace_0d35.xml
-// File: namespace_0d37.xml
+// File: namespace_0d39.xml
-// File: namespace_0d41.xml
+// File: namespace_0d43.xml
-// File: namespace_0d45.xml
+// File: namespace_0d51.xml
-// File: namespace_0d53.xml
+// File: namespace_0d56.xml
-// File: namespace_0d58.xml
+// File: namespace_0d65.xml
// File: namespace_0d67.xml
-// File: namespace_0d69.xml
+// File: namespace_0d71.xml
// File: namespace_0d73.xml
-// File: namespace_0d75.xml
+// File: namespace_0d80.xml
// File: namespace_0d82.xml
-// File: namespace_0d84.xml
+// File: namespace_0d90.xml
-// File: namespace_0d92.xml
+// File: namespace_0d96.xml
// File: namespace_0d98.xml
@@ -2867,18 +2870,6 @@ Helper factory function to use in GISASSimulation. Depending on the type of det
// File: IComputation_8h.xml
-// File: LayoutStrategyBuilder_8cpp.xml
-%feature("docstring") processedIInterferenceFunctionStrategy "IInterferenceFunctionStrategy* processedIInterferenceFunctionStrategy(const ProcessedLayout *layout, const SimulationOptions &sim_params, bool polarized)
-";
-
-
-// File: LayoutStrategyBuilder_8h.xml
-%feature("docstring") processedInterferenceFunction "IInterferenceFunctionStrategy* processedInterferenceFunction(const ProcessedLayout *layout, const SimulationOptions &sim_params, bool polarized)
-
-Provides a IInterferenceFunctionStrategy for a ParticleLayoutComputation.
-";
-
-
// File: MultiLayerFuncs_8cpp.xml
%feature("docstring") MaterialProfile "std::vector<complex_t> MaterialProfile(const MultiLayer &multilayer, int n_points, double z_min, double z_max)
diff --git a/auto/Wrap/doxygenSample.i b/auto/Wrap/doxygenSample.i
index c58b712e4cb849c0db8441f942f71d6509952676..d05ebb308f186c2833b1074229853893e5b9cad3 100644
--- a/auto/Wrap/doxygenSample.i
+++ b/auto/Wrap/doxygenSample.i
@@ -437,7 +437,7 @@ Strategy class to compute the total scattering from a particle layout in the dec
C++ includes: DecouplingApproximationStrategy.h
";
-%feature("docstring") DecouplingApproximationStrategy::DecouplingApproximationStrategy "DecouplingApproximationStrategy::DecouplingApproximationStrategy(SimulationOptions sim_params, bool polarized)
+%feature("docstring") DecouplingApproximationStrategy::DecouplingApproximationStrategy "DecouplingApproximationStrategy::DecouplingApproximationStrategy(const std::vector< FormFactorCoherentSum > &weighted_formfactors, const IInterferenceFunction *p_iff, SimulationOptions sim_params, bool polarized)
";
@@ -3627,17 +3627,12 @@ Instantiation of child classes takes place in LayoutStrategyBuilder::createStrat
C++ includes: IInterferenceFunctionStrategy.h
";
-%feature("docstring") IInterferenceFunctionStrategy::IInterferenceFunctionStrategy "IInterferenceFunctionStrategy::IInterferenceFunctionStrategy(const SimulationOptions &sim_params, bool polarized)
+%feature("docstring") IInterferenceFunctionStrategy::IInterferenceFunctionStrategy "IInterferenceFunctionStrategy::IInterferenceFunctionStrategy(const std::vector< FormFactorCoherentSum > &weighted_formfactors, const IInterferenceFunction *p_iff, const SimulationOptions &sim_params, bool polarized)
";
%feature("docstring") IInterferenceFunctionStrategy::~IInterferenceFunctionStrategy "IInterferenceFunctionStrategy::~IInterferenceFunctionStrategy()
";
-%feature("docstring") IInterferenceFunctionStrategy::init "void IInterferenceFunctionStrategy::init(const std::vector< FormFactorCoherentSum > &weighted_formfactors, const IInterferenceFunction *p_iff)
-
-Initializes the object with form factors and an interference function.
-";
-
%feature("docstring") IInterferenceFunctionStrategy::evaluate "double IInterferenceFunctionStrategy::evaluate(const SimulationElement &sim_element) const
Calculates the intensity for scalar particles/interactions.
@@ -7574,7 +7569,7 @@ Strategy class to compute the total scattering from a particle layout in the siz
C++ includes: SSCApproximationStrategy.h
";
-%feature("docstring") SSCApproximationStrategy::SSCApproximationStrategy "SSCApproximationStrategy::SSCApproximationStrategy(SimulationOptions sim_params, double kappa, bool polarized)
+%feature("docstring") SSCApproximationStrategy::SSCApproximationStrategy "SSCApproximationStrategy::SSCApproximationStrategy(const std::vector< FormFactorCoherentSum > &weighted_formfactors, const IInterferenceFunction *p_iff, SimulationOptions sim_params, bool polarized, double kappa)
";