rename ParticleComposition -> Compound

Examples/scatter2d/BiMaterialCylinders.py

@@ -31,7 +31,7 @@ def get_sample():
     subparticle_2 = ba.Particle(material_Teflon, ff_2)
 
     # Define composition of particles at specific positions
-    particle = ba.ParticleComposition()
+    particle = ba.Compound()
     particle.addParticle(subparticle_1)
     particle.addParticle(subparticle_2)
     particle.setParticlePosition(R3(0, 0, -10*nm))

Examples/scatter2d/CoreShellNanoparticles2.py

@@ -23,7 +23,7 @@ def get_sample():
     # Define particles
     core = ba.Particle(material_Diff, ff_1)
     shell = ba.Particle(material_Shell, ff_2)
-    particle = ba.ParticleComposition()
+    particle = ba.Compound()
     particle.addParticle(shell)
     particle.addParticle(core, ba.R3(0,0,0.5*nm))
 

Examples/scatter2d/HexagonalLatticesWithBasis.py

@@ -28,7 +28,7 @@ def get_sample():
     particle_2.setParticlePosition(particle_2_position)
 
     # Define composition of particles at specific positions
-    basis = ba.ParticleComposition()
+    basis = ba.Compound()
     basis.addParticle(particle_1)
     basis.addParticle(particle_2)
 

Examples/scatter2d/Interference2DCenteredSquareLattice.py

@@ -27,7 +27,7 @@ def get_sample():
     particle_2.setParticlePosition(R3(a/2, a/2, 0))
 
     # Define composition of particles at specific positions
-    basis = ba.ParticleComposition()
+    basis = ba.Compound()
     basis.addParticle(particle_1)
     basis.addParticle(particle_2)
 

Examples/scatter2d/Mesocrystal2.py

@@ -38,7 +38,7 @@ def get_sample():
     position_1 = 1.0/3*(2*bas_a + bas_b + bas_c)
     position_2 = 1.0/3*(bas_a + 2*bas_b + 2*bas_c)
     positions = [position_0, position_1, position_2]
-    basis = ba.ParticleComposition()
+    basis = ba.Compound()
     basis.addParticles(inner_particle, positions)
 
     # Define crystals

GUI/Model/BaseItem/SessionItem.h

@@ -188,9 +188,9 @@ class GroupInfo;
 //!     } else if (item.modelType() == "ParticleCoreShell") {
 //!         auto& particle_coreshell_item = static_cast<const ParticleCoreShellItem&>(item);
 //!         P_particle = particle_coreshell_item.createParticleCoreShell();
-//!     } else if (item.modelType() == "ParticleComposition") {
-//!         auto& particle_composition_item = static_cast<const ParticleCompositionItem&>(item);
-//!         P_particle = particle_composition_item.createParticleComposition();
+//!     } else if (item.modelType() == "Compound") {
+//!         auto& particle_composition_item = static_cast<const CompoundItem&>(item);
+//!         P_particle = particle_composition_item.createCompound();
 //!     } else if (item.modelType() == "Mesocrystal") {
 //!         auto& mesocrystal_item = static_cast<const MesocrystalItem&>(item);
 //!         P_particle = mesocrystal_item.createMesocrystal();

GUI/Model/CatSample/ItemWithParticlesCatalog.cpp

@@ -14,7 +14,7 @@
 
 #include "GUI/Model/CatSample/ItemWithParticlesCatalog.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 
@@ -24,7 +24,7 @@ ItemWithParticles* ItemWithParticlesCatalog::create(Type type, const MaterialIte
     case Type::Particle:
         return new ParticleItem(materials);
     case Type::Composition:
-        return new ParticleCompositionItem(materials);
+        return new CompoundItem(materials);
     case Type::CoreShell:
         return new ParticleCoreShellItem(materials);
     case Type::Mesocrystal:
@@ -51,7 +51,7 @@ ItemWithParticlesCatalog::UiInfo ItemWithParticlesCatalog::uiInfo(Type type)
         return {"Particle", "", ""}; // particle is not on UI, only its form factor
     case Type::Composition:
         return {"Particle Composition", "Composition of particles with fixed positions",
-                ":/SampleDesignerToolbox/images/ParticleComposition_64x64.png"};
+                ":/SampleDesignerToolbox/images/Compound_64x64.png"};
     case Type::CoreShell:
         return {"Core shell particle", "A particle with a core/shell geometry",
                 ":/SampleDesignerToolbox/images/ParticleCoreShell_64x64.png"};
@@ -69,7 +69,7 @@ ItemWithParticlesCatalog::Type ItemWithParticlesCatalog::type(const ItemWithPart
 
     if (dynamic_cast<const ParticleItem*>(item))
         return Type::Particle;
-    if (dynamic_cast<const ParticleCompositionItem*>(item))
+    if (dynamic_cast<const CompoundItem*>(item))
         return Type::Composition;
     if (dynamic_cast<const MesocrystalItem*>(item))
         return Type::Mesocrystal;

GUI/Model/FromCore/GUIExamplesFactory.cpp

@@ -52,10 +52,10 @@ const QMap<QString, std::tuple<QString, QString, std::function<MultiLayer*()>>>
      {"Rotated pyramids", "Rotated pyramids on top of substrate",
       ExemplarySamples::createRotatedPyramids}},
 
-    {"ParticleCompositionBuilder",
+    {"CompoundBuilder",
      {"Hexagonal lattice with basis",
       "Hexagonal lattice with basis to represent two layers of spheres",
-      ExemplarySamples::createParticleComposition}},
+      ExemplarySamples::createCompound}},
 
     {"MesocrystalBuilder", {"Mesocrystal", "", ExemplarySamples::createMesocrystal}}};
 

GUI/Model/FromCore/ItemizeSample.cpp

@@ -20,7 +20,7 @@
 #include "GUI/Model/Sample/MaterialItems.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
 #include "GUI/Model/Sample/MultiLayerItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Model/Sample/ParticleLayoutItem.h"
@@ -612,8 +612,8 @@ void copyParticle(const IParticle* iparticle, MaterialItems& matItems,
                      [=](ItemWithParticles* p) { mesoItem->setBasis(p); });
 
     } else if (const auto* particleComposition =
-                   dynamic_cast<const ParticleComposition*>(iparticle)) {
-        auto* particleCompositionItem = new ParticleCompositionItem(&matItems);
+                   dynamic_cast<const Compound*>(iparticle)) {
+        auto* particleCompositionItem = new CompoundItem(&matItems);
 
         particleCompositionItem->setAbundance(particleComposition->abundance());
         particleCompositionItem->setPosition(particleComposition->particlePosition());

GUI/Model/Model/ParameterTreeUtils.cpp

@@ -35,7 +35,7 @@
 #include "GUI/Model/Sample/MaterialItem.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
 #include "GUI/Model/Sample/MultiLayerItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Model/Sample/ParticleLayoutItem.h"
@@ -266,7 +266,7 @@ ParameterLabelItem* ParameterTreeBuilder::addParticle(ParameterLabelItem* parent
         auto* ffLabel = addLabel<FormFactorItemCatalog>(label, "Formfactor", formFactor);
         for (const auto& d : formFactor->geometryValues())
             addParameterItem(ffLabel, d);
-    } else if (const auto* particleComposition = dynamic_cast<const ParticleCompositionItem*>(p)) {
+    } else if (const auto* particleComposition = dynamic_cast<const CompoundItem*>(p)) {
         for (auto* p : particleComposition->particles())
             addParticle(label, p, false);
     } else if (const auto* coreShell = dynamic_cast<const ParticleCoreShellItem*>(p)) {

GUI/Model/Sample/ParticleCompositionItem.cpp → GUI/Model/Sample/CompoundItem.cpp

@@ -2,8 +2,8 @@
 //
 //  BornAgain: simulate and fit reflection and scattering
 //
-//! @file      GUI/Model/Sample/ParticleCompositionItem.cpp
-//! @brief     Implements class ParticleCompositionItem
+//! @file      GUI/Model/Sample/CompoundItem.cpp
+//! @brief     Implements class CompoundItem
 //!
 //! @homepage  http://www.bornagainproject.org
 //! @license   GNU General Public License v3 or higher (see COPYING)
@@ -12,7 +12,7 @@
 //
 //  ************************************************************************************************
 
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/CatSample/ItemWithParticlesCatalog.h"
 #include "GUI/Model/CatSample/RotationItemCatalog.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
@@ -35,14 +35,14 @@ const QString position_tooltip = "Relative position of the particle's reference
 } // namespace
 
 
-ParticleCompositionItem::ParticleCompositionItem(const MaterialItems* materials)
+CompoundItem::CompoundItem(const MaterialItems* materials)
     : ItemWithParticles(abundance_tooltip, position_tooltip)
     , m_materials(materials)
 {
     ASSERT(m_materials);
 }
 
-void ParticleCompositionItem::serialize(Streamer& s)
+void CompoundItem::serialize(Streamer& s)
 {
     s.assertVersion(0);
     Serialize::rwProperty(s, m_abundance);
@@ -51,9 +51,9 @@ void ParticleCompositionItem::serialize(Streamer& s)
     Serialize::rwCatalogized<ItemWithParticlesCatalog>(s, "Particles", m_particles, m_materials);
 }
 
-std::unique_ptr<ParticleComposition> ParticleCompositionItem::createParticleComposition() const
+std::unique_ptr<Compound> CompoundItem::createCompound() const
 {
-    auto P_composition = std::make_unique<ParticleComposition>();
+    auto P_composition = std::make_unique<Compound>();
     P_composition->setAbundance(abundance());
     for (auto* p : m_particles) {
         if (auto* particleItem = dynamic_cast<ParticleItem*>(p)) {
@@ -62,8 +62,8 @@ std::unique_ptr<ParticleComposition> ParticleCompositionItem::createParticleComp
         } else if (auto* coreShellItem = dynamic_cast<ParticleCoreShellItem*>(p)) {
             if (auto P_particle_coreshell = coreShellItem->createParticleCoreShell())
                 P_composition->addParticle(*P_particle_coreshell);
-        } else if (auto* compositionItem = dynamic_cast<ParticleCompositionItem*>(p)) {
-            if (auto P_child_composition = compositionItem->createParticleComposition())
+        } else if (auto* compositionItem = dynamic_cast<CompoundItem*>(p)) {
+            if (auto P_child_composition = compositionItem->createCompound())
                 P_composition->addParticle(*P_child_composition);
         } else if (auto* mesocrystalItem = dynamic_cast<MesocrystalItem*>(p)) {
             if (auto P_meso = mesocrystalItem->createMesocrystal())
@@ -78,23 +78,23 @@ std::unique_ptr<ParticleComposition> ParticleCompositionItem::createParticleComp
     return P_composition;
 }
 
-QVector<ItemWithParticles*> ParticleCompositionItem::particles() const
+QVector<ItemWithParticles*> CompoundItem::particles() const
 {
     return m_particles;
 }
 
-void ParticleCompositionItem::addParticle(ItemWithParticles* particle)
+void CompoundItem::addParticle(ItemWithParticles* particle)
 {
     m_particles << particle;
 }
 
-void ParticleCompositionItem::removeParticle(ItemWithParticles* particle)
+void CompoundItem::removeParticle(ItemWithParticles* particle)
 {
     m_particles.removeAll(particle);
     delete particle;
 }
 
-QVector<ItemWithParticles*> ParticleCompositionItem::containedItemsWithParticles() const
+QVector<ItemWithParticles*> CompoundItem::containedItemsWithParticles() const
 {
     QVector<ItemWithParticles*> result;
     for (auto* particle : m_particles)

GUI/Model/Sample/ParticleCompositionItem.h → GUI/Model/Sample/CompoundItem.h

@@ -2,8 +2,8 @@
 //
 //  BornAgain: simulate and fit reflection and scattering
 //
-//! @file      GUI/Model/Sample/ParticleCompositionItem.h
-//! @brief     Defines class ParticleCompositionItem
+//! @file      GUI/Model/Sample/CompoundItem.h
+//! @brief     Defines class CompoundItem
 //!
 //! @homepage  http://www.bornagainproject.org
 //! @license   GNU General Public License v3 or higher (see COPYING)
@@ -12,21 +12,21 @@
 //
 //  ************************************************************************************************
 
-#ifndef BORNAGAIN_GUI_MODEL_SAMPLE_PARTICLECOMPOSITIONITEM_H
-#define BORNAGAIN_GUI_MODEL_SAMPLE_PARTICLECOMPOSITIONITEM_H
+#ifndef BORNAGAIN_GUI_MODEL_SAMPLE_COMPOUNDITEM_H
+#define BORNAGAIN_GUI_MODEL_SAMPLE_COMPOUNDITEM_H
 
 #include "GUI/Model/Sample/ItemWithParticles.h"
-#include "Sample/Particle/ParticleComposition.h"
+#include "Sample/Particle/Compound.h"
 #include <memory>
 
 class MaterialItems;
 
-class ParticleCompositionItem : public ItemWithParticles {
+class CompoundItem : public ItemWithParticles {
 public:
-    ParticleCompositionItem(const MaterialItems* materials);
+    CompoundItem(const MaterialItems* materials);
     void serialize(Streamer& s) override;
 
-    std::unique_ptr<ParticleComposition> createParticleComposition() const;
+    std::unique_ptr<Compound> createCompound() const;
 
     QVector<ItemWithParticles*> particles() const;
     void addParticle(ItemWithParticles* particle);
@@ -39,4 +39,4 @@ private:
     const MaterialItems* m_materials;
 };
 
-#endif // BORNAGAIN_GUI_MODEL_SAMPLE_PARTICLECOMPOSITIONITEM_H
+#endif // BORNAGAIN_GUI_MODEL_SAMPLE_COMPOUNDITEM_H

GUI/Model/Sample/ItemWithParticles.h

@@ -45,7 +45,7 @@ public:
 
     //! Return full hierarchical contained items with particles.
     //!
-    //! For example ParticleCompositionItem contains other items, ParticleItem doesn't.
+    //! For example CompoundItem contains other items, ParticleItem doesn't.
     virtual QVector<ItemWithParticles*> containedItemsWithParticles() const = 0;
 
     virtual void serialize(Streamer& s) = 0;

GUI/Model/Sample/LayerItem.cpp

@@ -15,7 +15,7 @@
 #include "GUI/Model/Sample/LayerItem.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
 #include "GUI/Model/Sample/MultiLayerItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Model/Sample/ParticleLayoutItem.h"
@@ -33,7 +33,7 @@ QVector<ItemWithMaterial*> layoutItemsWithMaterial(ParticleLayoutItem* layout)
         if (!item)
             continue;
 
-        if (auto* p = dynamic_cast<ParticleCompositionItem*>(item))
+        if (auto* p = dynamic_cast<CompoundItem*>(item))
             itemsWithParticles << p->particles();
         else if (auto* p = dynamic_cast<MesocrystalItem*>(item))
             itemsWithParticles << p->basisParticle();

GUI/Model/Sample/MesocrystalItem.cpp

@@ -17,7 +17,7 @@
 #include "GUI/Model/CatSample/ItemWithParticlesCatalog.h"
 #include "GUI/Model/CatSample/RotationItemCatalog.h"
 #include "GUI/Model/Sample/FormFactorItems.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Support/XML/Serialize.h"
@@ -105,8 +105,8 @@ std::unique_ptr<IParticle> MesocrystalItem::getBasis() const
     if (auto* p = dynamic_cast<ParticleCoreShellItem*>(m_basisParticle.get()))
         return p->createParticleCoreShell();
 
-    if (auto* p = dynamic_cast<ParticleCompositionItem*>(m_basisParticle.get()))
-        return p->createParticleComposition();
+    if (auto* p = dynamic_cast<CompoundItem*>(m_basisParticle.get()))
+        return p->createCompound();
 
     if (auto* p = dynamic_cast<MesocrystalItem*>(m_basisParticle.get()))
         return p->createMesocrystal();

GUI/Model/Sample/ParticleLayoutItem.cpp

@@ -18,7 +18,7 @@
 #include "GUI/Model/Sample/InterferenceItems.h"
 #include "GUI/Model/Sample/Lattice2DItems.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Support/XML/Serialize.h"
 

GUI/Model/Sample/SampleValidator.cpp

@@ -16,7 +16,7 @@
 #include "GUI/Model/Sample/InterferenceItems.h"
 #include "GUI/Model/Sample/LayerItem.h"
 #include "GUI/Model/Sample/MultiLayerItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleLayoutItem.h"
 
@@ -28,7 +28,7 @@ void SampleValidator::validateItem(const ItemWithParticles* item)
             addMessage("Sim/shell particle doesn't have core defined.");
         if (!p->shell())
             addMessage("Sim/shell particle doesn't have shell defined.");
-    } else if (const auto* p = dynamic_cast<const ParticleCompositionItem*>(item))
+    } else if (const auto* p = dynamic_cast<const CompoundItem*>(item))
         if (p->particles().isEmpty())
             addMessage("Particle composition doesn't have any particles.");
 }

GUI/Model/ToCore/SampleToCore.cpp

@@ -21,7 +21,7 @@
 #include "GUI/Model/Sample/MaterialItem.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
 #include "GUI/Model/Sample/MultiLayerItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Model/Sample/ParticleLayoutItem.h"
@@ -75,8 +75,8 @@ std::unique_ptr<IParticle> createIParticle(const ItemWithParticles& item)
                  dynamic_cast<const ParticleCoreShellItem*>(&item))
         particle = particle_coreshell_item->createParticleCoreShell();
     else if (const auto* particle_composition_item =
-                 dynamic_cast<const ParticleCompositionItem*>(&item))
-        particle = particle_composition_item->createParticleComposition();
+                 dynamic_cast<const CompoundItem*>(&item))
+        particle = particle_composition_item->createCompound();
     else if (const auto* mesocrystal_item = dynamic_cast<const MesocrystalItem*>(&item))
         particle = mesocrystal_item->createMesocrystal();
 

GUI/View/Realspace/Particle3DContainer.h

@@ -55,7 +55,7 @@ private:
     std::vector<GUI::RealSpace::Particles::Particle*> m_containerParticles;
     // Contains the constituents of the 3D Particle (e.g. core and shell of a ParticleCoreShell)
     double m_cumulativeAbundance;
-    QString m_containerType; // type of 3D Particle e.g. ParticleType, ParticleCompositionType etc.
+    QString m_containerType; // type of 3D Particle e.g. ParticleType, CompoundType etc.
     std::vector<bool> m_containerParticlesBlend;
 };
 

GUI/View/Realspace/RealSpaceBuilder.cpp

@@ -18,7 +18,7 @@
 #include "GUI/Model/Sample/LayerItem.h"
 #include "GUI/Model/Sample/MesocrystalItem.h"
 #include "GUI/Model/Sample/MultiLayerItem.h"
-#include "GUI/Model/Sample/ParticleCompositionItem.h"
+#include "GUI/Model/Sample/CompoundItem.h"
 #include "GUI/Model/Sample/ParticleCoreShellItem.h"
 #include "GUI/Model/Sample/ParticleItem.h"
 #include "GUI/Model/Sample/ParticleLayoutItem.h"
@@ -150,11 +150,11 @@ void RealSpaceBuilder::populateParticleFromParticleItem(RealSpace::Model* model,
         auto particleCoreShell = particleCoreShellItem->createParticleCoreShell();
         particle3DContainer = m_builderUtils->particleCoreShell3DContainer(*particleCoreShell);
     } else if (const auto* particleCompositionItem =
-                   dynamic_cast<const ParticleCompositionItem*>(&particleItem)) {
-        // If there is no particle to populate inside ParticleCompositionItem
+                   dynamic_cast<const CompoundItem*>(&particleItem)) {
+        // If there is no particle to populate inside CompoundItem
         if (!particleCompositionItem->particles().empty())
             return;
-        auto particleComposition = particleCompositionItem->createParticleComposition();
+        auto particleComposition = particleCompositionItem->createCompound();
         particle3DContainer = m_builderUtils->particleComposition3DContainer(*particleComposition);
     } else if (const auto* mesocrystalItem = dynamic_cast<const MesocrystalItem*>(&particleItem)) {
         // If there is no particle to populate inside MesocrystalItem