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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file GUI/Model/Sample/MesocrystalItem.h
//! @brief Defines class MesocrystalItem.
//!
//! @homepage http://www.bornagainproject.org
//! @license GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2021
//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
// ************************************************************************************************
#ifndef BORNAGAIN_GUI_MODEL_SAMPLE_MESOCRYSTALITEM_H
#define BORNAGAIN_GUI_MODEL_SAMPLE_MESOCRYSTALITEM_H
#include "GUI/Model/Descriptor/PolyPtr.h"
#include "GUI/Model/Descriptor/VectorProperty.h"
#include "GUI/Model/Sample/FormfactorCatalog.h"
#include "GUI/Model/Sample/FormfactorItems.h"
#include "GUI/Model/Sample/ItemWithParticles.h"
#include "GUI/Model/Sample/ParticleCatalog.h"
#include "Sample/Lattice/Lattice3D.h"
#include <memory>
class IFormfactor;
class IParticle;
class MaterialsSet;
class Mesocrystal;
class MesocrystalItem : public ItemWithParticles {
public:
explicit MesocrystalItem(const MaterialsSet* materials);
void writeTo(QXmlStreamWriter* w) const override;
void readFrom(QXmlStreamReader* r) override;
std::unique_ptr<Mesocrystal> createMesocrystal() const;
Lattice3D getLattice() const;
std::unique_ptr<IParticle> getBasis() const;
std::unique_ptr<IFormfactor> getOuterShape() const;
template <typename T> T* setOuterShapeType();
PolyPtr<FormfactorItem, FormfactorCatalog>& outerShapeSelection() { return m_outer_shape; }
void setOuterShape(FormfactorItem* p) { m_outer_shape.setCertainItem(p); }
ItemWithParticles* basisItem() const { return m_basis_particle.certainItem(); }
void setBasisItem(ItemWithParticles* basis) { m_basis_particle.setCertainItem(basis); }
VectorProperty& vectorA() { return m_vectorA; }
const VectorProperty& vectorA() const { return m_vectorA; }
void setVectorA(const R3& v) { m_vectorA.setR3(v); }
VectorProperty& vectorB() { return m_vectorB; }
const VectorProperty& vectorB() const { return m_vectorB; }
void setVectorB(const R3& v) { m_vectorB.setR3(v); }
VectorProperty& vectorC() { return m_vectorC; }
const VectorProperty& vectorC() const { return m_vectorC; }
void setVectorC(const R3& v) { m_vectorC.setR3(v); }
std::vector<ItemWithParticles*> containedItemsWithParticles() const override;
bool expandMesocrystal = true;
private:
VectorProperty m_vectorA;
VectorProperty m_vectorB;
VectorProperty m_vectorC;
PolyPtr<FormfactorItem, FormfactorCatalog> m_outer_shape;
PolyPtrWithContext<ItemWithParticles, ParticleCatalog, MaterialsSet> m_basis_particle;
const MaterialsSet* m_materials;
};
template <typename T> T* MesocrystalItem::setOuterShapeType()
{
auto* p = new T;
setOuterShape(p);
return p;
}
#endif // BORNAGAIN_GUI_MODEL_SAMPLE_MESOCRYSTALITEM_H
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