From bf000e1694664245fa28af45f486ec87aa46e387 Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (h)" <j.wuttke@fz-juelich.de>
Date: Sun, 15 Nov 2020 22:31:49 +0100
Subject: [PATCH] Prepare for exporting Lattice2D to Python
---
Core/Export/SampleLabelHandler.cpp | 21 +++++++++++++++-----
Core/Export/SampleLabelHandler.h | 16 ++++++++++-----
Core/Export/SampleToPython.cpp | 31 +++++++++++++++++++++++++-----
Core/Export/SampleToPython.h | 3 ++-
auto/Wrap/doxygenCore.i | 15 ++++++++++++---
5 files changed, 67 insertions(+), 19 deletions(-)
diff --git a/Core/Export/SampleLabelHandler.cpp b/Core/Export/SampleLabelHandler.cpp
index 529291f3aab..f4c79391091 100644
--- a/Core/Export/SampleLabelHandler.cpp
+++ b/Core/Export/SampleLabelHandler.cpp
@@ -53,9 +53,14 @@ std::string SampleLabelHandler::labelMaterial(const Material* mat)
return m_MaterialLabel[mat];
}
-std::string SampleLabelHandler::labelLattice(const Lattice3D* 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)
@@ -136,10 +141,16 @@ void SampleLabelHandler::insertMaterial(const Material* mat)
m_MaterialLabel.insert(mat, label);
}
-void SampleLabelHandler::insertLattice(const Lattice3D* sample)
+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 = "lattice_" + std::to_string(m_LatticeLabel.size() + 1);
- m_LatticeLabel.insert(sample, label);
+ std::string label = "lattice3D_" + std::to_string(m_Lattice3DLabel.size() + 1);
+ m_Lattice3DLabel.insert(sample, label);
}
void SampleLabelHandler::insertMesoCrystal(const MesoCrystal* sample)
diff --git a/Core/Export/SampleLabelHandler.h b/Core/Export/SampleLabelHandler.h
index 09712d421fa..108708f7585 100644
--- a/Core/Export/SampleLabelHandler.h
+++ b/Core/Export/SampleLabelHandler.h
@@ -25,6 +25,7 @@ class IInterferenceFunction;
class ParticleLayout;
class Material;
class IRotation;
+class Lattice2D;
class Lattice3D;
class Layer;
class LayerRoughness;
@@ -51,7 +52,8 @@ public:
typedef LabelMap<const Layer*> layers_t;
typedef LabelMap<const ParticleLayout*> layouts_t;
typedef LabelMap<const Material*> materials_t;
- typedef LabelMap<const Lattice3D*> 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;
@@ -68,7 +70,8 @@ public:
layers_t* layerMap() { return &m_LayerLabel; }
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; }
@@ -84,7 +87,8 @@ public:
std::string labelLayer(const Layer* sample);
std::string labelLayout(const ParticleLayout* sample);
std::string labelMaterial(const Material* sample);
- std::string labelLattice(const Lattice3D* 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);
@@ -96,7 +100,8 @@ public:
void insertLayer(const Layer* sample);
void insertLayout(const ParticleLayout* sample);
void insertMaterial(const Material* sample);
- void insertLattice(const Lattice3D* 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);
@@ -113,7 +118,8 @@ private:
layers_t m_LayerLabel;
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 12e167f9752..e1c65530c0a 100644
--- a/Core/Export/SampleToPython.cpp
+++ b/Core/Export/SampleToPython.cpp
@@ -67,7 +67,7 @@ void SampleToPython::initLabels(const MultiLayer& multilayer)
for (auto x : INodeUtils::AllDescendantsOfType<ParticleDistribution>(multilayer))
m_label->insertParticleDistribution(x);
for (auto x : INodeUtils::AllDescendantsOfType<Lattice3D>(multilayer))
- m_label->insertLattice(x);
+ m_label->insertLattice3D(x);
for (auto x : INodeUtils::AllDescendantsOfType<Crystal>(multilayer))
m_label->insertCrystal(x);
for (auto x : INodeUtils::AllDescendantsOfType<MesoCrystal>(multilayer))
@@ -84,7 +84,8 @@ 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";
@@ -285,9 +286,29 @@ std::string SampleToPython::defineParticleCompositions() const
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 2D lattices\n";
+ for (auto it = themap->begin(); it != themap->end(); ++it) {
+ const Lattice2D* p_lattice = it->first;
+ std::string lattice_name = it->second;
+ result << indent() << lattice_name << " = ba.BasicLattice(\n";
+ result << indent() << indent()
+ << pyfmt::printNm(p_lattice->length1()) << ", "
+ << pyfmt::printNm(p_lattice->length2()) << ", "
+ << pyfmt::printNm(p_lattice->latticeAngle()) << "),\n";
+ }
+ return result.str();
+}
+
+std::string SampleToPython::defineLattices3D() const
+{
+ const auto themap = m_label->lattice3DMap();
if (themap->empty())
return "";
std::ostringstream result;
@@ -327,7 +348,7 @@ std::string SampleToPython::defineCrystals() const
continue;
result << indent() << crystal_name << " = ba.Crystal(";
result << m_label->labelParticle(p_basis) << ", ";
- result << m_label->labelLattice(p_lattice) << ")\n";
+ result << m_label->labelLattice3D(p_lattice) << ")\n";
}
return result.str();
}
diff --git a/Core/Export/SampleToPython.h b/Core/Export/SampleToPython.h
index 4f9caa5b3b3..f60aaeaa742 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/auto/Wrap/doxygenCore.i b/auto/Wrap/doxygenCore.i
index 91b79dad64e..9da439c9a8f 100644
--- a/auto/Wrap/doxygenCore.i
+++ b/auto/Wrap/doxygenCore.i
@@ -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()
@@ -2000,7 +2003,10 @@ C++ includes: SampleLabelHandler.h
%feature("docstring") SampleLabelHandler::labelMaterial "std::string SampleLabelHandler::labelMaterial(const Material *sample)
";
-%feature("docstring") SampleLabelHandler::labelLattice "std::string SampleLabelHandler::labelLattice(const Lattice3D *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)
@@ -2033,7 +2039,10 @@ C++ includes: SampleLabelHandler.h
%feature("docstring") SampleLabelHandler::insertMaterial "void SampleLabelHandler::insertMaterial(const Material *sample)
";
-%feature("docstring") SampleLabelHandler::insertLattice "void SampleLabelHandler::insertLattice(const Lattice3D *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)
--
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