RealSpaceBuilderUtils.h

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      GUI/coregui/Views/RealSpaceWidgets/RealSpaceBuilderUtils.h
//! @brief     Defines RealSpaceBuilderUtils namespace
//!
//! @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_GUI_COREGUI_VIEWS_REALSPACEWIDGETS_REALSPACEBUILDERUTILS_H
#define BORNAGAIN_GUI_COREGUI_VIEWS_REALSPACEWIDGETS_REALSPACEBUILDERUTILS_H
 
#include "Sample/Scattering/Rotations.h"
#include <QVector3D>
#include <memory>
#include <utility>
 
class RealSpaceModel;
class SessionItem;
class SceneGeometry;
class RealSpaceBuilder;
class IRotation;
class MesoCrystalItem;
class Particle;
class ParticleComposition;
class ParticleCoreShell;
class ParticleDistribution;
class IInterferenceFunction;
class Particle3DContainer;
class InterferenceFunction2DParaCrystal;
namespace RealSpace {
struct Vector3D;
namespace Particles {
class Particle;
}
} // namespace RealSpace
 
namespace RealSpaceBuilderUtils {
// compute cumulative abundances of particles
QVector<double> computeCumulativeAbundances(const SessionItem& layoutItem);
 
void populateParticlesAtLatticePositions(
    const std::vector<std::vector<double>>& lattice_positions,
    const std::vector<Particle3DContainer>& particle3DContainer_vector, RealSpaceModel* model,
    const SceneGeometry& sceneGeometry, const RealSpaceBuilder* builder3D);
 
// Implement Rotation of a 3D particle using parameters from IRotation Object
RealSpace::Vector3D implementParticleRotationfromIRotation(const IRotation*& rotation);
 
//! Apply transformations (translation, rotation) to a 3D Particle
//! or to a particle belonging to a ParticleComposition
void applyParticleTransformations(const Particle& particle,
                                  RealSpace::Particles::Particle& particle3D,
                                  const kvector_t& origin = kvector_t(0, 0, 0));
 
//! Apply transformations (translation, rotation) to a particle (core/shell) in a ParticleCoreShell
void applyParticleCoreShellTransformations(const Particle& particle,
                                           RealSpace::Particles::Particle& particle3D,
                                           const ParticleCoreShell& particleCoreShell,
                                           const kvector_t& origin = kvector_t(0, 0, 0));
 
// Apply color to a 3D particle
void applyParticleColor(const Particle& particle, RealSpace::Particles::Particle& particle3D,
                        double alpha = 1);
 
std::vector<Particle3DContainer> particle3DContainerVector(const SessionItem& layoutItem,
                                                           const QVector3D& origin = {});
 
Particle3DContainer singleParticle3DContainer(const Particle& particle,
                                              double total_abundance = 1.0,
                                              const QVector3D& origin = {});
 
Particle3DContainer particleCoreShell3DContainer(const ParticleCoreShell& particleCoreShell,
                                                 double total_abundance = 1.0,
                                                 const QVector3D& origin = {});
 
Particle3DContainer
particleComposition3DContainer(const ParticleComposition& particleComposition3DContainer,
                               double total_abundance = 1.0, const QVector3D& origin = {});
 
std::vector<Particle3DContainer>
particleDistribution3DContainer(const ParticleDistribution& particleDistribution,
                                double total_abundance = 1.0, const QVector3D& origin = {});
 
Particle3DContainer mesoCrystal3DContainer(const MesoCrystalItem& mesoCrystalItem,
                                           double total_abundance = 1.0,
                                           const QVector3D& origin = {});
 
} // namespace RealSpaceBuilderUtils
 
#endif // BORNAGAIN_GUI_COREGUI_VIEWS_REALSPACEWIDGETS_REALSPACEBUILDERUTILS_H