GUI::RealSpace::BuilderUtils Class Reference

Description

Definition at line 50 of file RealSpaceBuilderUtils.h.

Public Member Functions
	BuilderUtils (std::function< QColor(const QString &)> fnColorFromMaterialName)
void	applyParticleColor (const Particle &particle, GUI::RealSpace::Particles::Particle &particle3D, double alpha=1)
void	applyParticleCoreShellTransformations (const Particle &particle, GUI::RealSpace::Particles::Particle &particle3D, const ParticleCoreShell &particleCoreShell, const R3 &origin=R3(0, 0, 0))
	Apply transformations (translation, rotation) to a particle (core/shell) in a ParticleCoreShell. More...
void	applyParticleTransformations (const Particle &particle, GUI::RealSpace::Particles::Particle &particle3D, const R3 &origin=R3(0, 0, 0))
	Apply transformations (translation, rotation) to a 3D Particle or to a particle belonging to a ParticleComposition. More...
QVector< double >	computeCumulativeAbundances (const ParticleLayoutItem &layoutItem)
GUI::RealSpace::Vector3D	implementParticleRotationfromIRotation (const IRotation *&rotation)
Particle3DContainer	mesoCrystal3DContainer (const MesoCrystalItem &mesoCrystalItem, double total_abundance=1.0, const QVector3D &origin={})
std::vector< Particle3DContainer >	particle3DContainerVector (const ParticleLayoutItem &layoutItem, const QVector3D &origin={})
Particle3DContainer	particleComposition3DContainer (const ParticleComposition &particleComposition3DContainer, double total_abundance=1.0, const QVector3D &origin={})
Particle3DContainer	particleCoreShell3DContainer (const ParticleCoreShell &particleCoreShell, double total_abundance=1.0, const QVector3D &origin={})
void	populateParticlesAtLatticePositions (const std::vector< std::vector< double >> &lattice_positions, const std::vector< Particle3DContainer > &particle3DContainer_vector, GUI::RealSpace::Model *model, const SceneGeometry &sceneGeometry, const RealSpaceBuilder *builder3D)
Particle3DContainer	singleParticle3DContainer (const Particle &particle, double total_abundance=1.0, const QVector3D &origin={})

Private Attributes
std::function< QColor(const QString &)>	m_fnColorFromMaterialName

Constructor & Destructor Documentation

BuilderUtils()

GUI::RealSpace::BuilderUtils::BuilderUtils

(

std::function< QColor(const QString &)>

fnColorFromMaterialName

)

Definition at line 57 of file RealSpaceBuilderUtils.cpp.

    : m_fnColorFromMaterialName(fnColorFromMaterialName)
{
    ASSERT(fnColorFromMaterialName);
}

Member Function Documentation

applyParticleColor()

void GUI::RealSpace::BuilderUtils::applyParticleColor	(	const Particle &	particle,
		GUI::RealSpace::Particles::Particle &	particle3D,
		double	alpha = 1
	)

Definition at line 199 of file RealSpaceBuilderUtils.cpp.

{
    // assign correct color to the particle from the knowledge of its material
    const Material* particle_material = particle.material();
    auto color =
        m_fnColorFromMaterialName(QString::fromStdString(particle_material->materialName()));
    color.setAlphaF(alpha);
    particle3D.color = color;
}

References GUI::RealSpace::Object::color.

applyParticleCoreShellTransformations()

void GUI::RealSpace::BuilderUtils::applyParticleCoreShellTransformations	(	const Particle &	particle,
		GUI::RealSpace::Particles::Particle &	particle3D,
		const ParticleCoreShell &	particleCoreShell,
		const R3 &	origin = R3(0, 0, 0)
	)

Apply transformations (translation, rotation) to a particle (core/shell) in a ParticleCoreShell.

Definition at line 168 of file RealSpaceBuilderUtils.cpp.

{
    std::unique_ptr<Particle> P_clone(particle.clone()); // clone of the current particle
 
    // rotation
    GUI::RealSpace::Vector3D particle_rotate;
    const IRotation* rotationCoreShell = particleCoreShell.rotation();
 
    if (rotationCoreShell)
        P_clone->rotate(*rotationCoreShell);
 
    const IRotation* rotation = P_clone->rotation();
 
    if (rotation)
        particle_rotate = implementParticleRotationfromIRotation(rotation);
 
    // translation
    R3 positionCoreShell = particleCoreShell.particlePosition();
 
    P_clone->translate(positionCoreShell);
 
    GUI::RealSpace::Vector3D position(
        static_cast<float>(P_clone->particlePosition().x() + origin.x()),
        static_cast<float>(P_clone->particlePosition().y() + origin.y()),
        static_cast<float>(P_clone->particlePosition().z() + origin.z()));
 
    particle3D.transform(particle_rotate, position);
}

References GUI::RealSpace::Particles::Particle::transform().

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applyParticleTransformations()

void GUI::RealSpace::BuilderUtils::applyParticleTransformations	(	const Particle &	particle,
		GUI::RealSpace::Particles::Particle &	particle3D,
		const R3 &	origin = R3(0, 0, 0)
	)

Apply transformations (translation, rotation) to a 3D Particle or to a particle belonging to a ParticleComposition.

Definition at line 142 of file RealSpaceBuilderUtils.cpp.

{
    // rotation
    GUI::RealSpace::Vector3D particle_rotate;
    const IRotation* rotation = particle.rotation();
 
    if (rotation)
        particle_rotate = implementParticleRotationfromIRotation(rotation);
 
    // translation
    float x = static_cast<float>(particle.particlePosition().x());
    float y = static_cast<float>(particle.particlePosition().y());
    float z = static_cast<float>(particle.particlePosition().z());
    GUI::RealSpace::Vector3D position(x + static_cast<float>(origin.x()),
                                      y + static_cast<float>(origin.y()),
                                      z + static_cast<float>(origin.z()));
 
    // If the particle belongs to a particle composition, along with the particle's
    // intrinsic transformations, position() and rotation() methods also account for the
    // translation and rotation (if present) of the particle composition as the
    // particleComposition's decompose() method already does this
 
    particle3D.addTransform(particle_rotate, position);
}

References GUI::RealSpace::Particles::Particle::addTransform().

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computeCumulativeAbundances()

QVector< double > GUI::RealSpace::BuilderUtils::computeCumulativeAbundances

(

const ParticleLayoutItem &

layoutItem

)

Definition at line 66 of file RealSpaceBuilderUtils.cpp.

{
    // Retrieving abundances of particles
    double total_abundance = 0.0;
    QVector<double> cumulative_abundances;
 
    for (auto* particle : layoutItem.particles()) {
        total_abundance += particle->abundance();
 
        cumulative_abundances.append(total_abundance);
    }
 
    return cumulative_abundances;
}

References ParticleLayoutItem::particles().

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implementParticleRotationfromIRotation()

GUI::RealSpace::Vector3D GUI::RealSpace::BuilderUtils::implementParticleRotationfromIRotation

(

const IRotation *&

rotation

)

Definition at line 119 of file RealSpaceBuilderUtils.cpp.

{
    double alpha = 0.0;
    double beta = 0.0;
    double gamma = 0.0;
 
    if (const auto* rotX = dynamic_cast<const RotationX*>(rotation)) {
        beta = rotX->angle(); // about x-axis
    } else if (const auto* rotY = dynamic_cast<const RotationY*>(rotation)) {
        alpha = Units::deg2rad(90.0);
        beta = rotY->angle(); // about y-axis
        gamma = Units::deg2rad(-90.0);
    } else if (const auto* rotZ = dynamic_cast<const RotationZ*>(rotation)) {
        alpha = rotZ->angle(); // about z-axis
    } else if (const auto* rotEuler = dynamic_cast<const RotationEuler*>(rotation)) {
        alpha = rotEuler->alpha();
        beta = rotEuler->beta();
        gamma = rotEuler->gamma();
    }
    return GUI::RealSpace::Vector3D(static_cast<float>(alpha), static_cast<float>(beta),
                                    static_cast<float>(gamma));
}

mesoCrystal3DContainer()

Particle3DContainer GUI::RealSpace::BuilderUtils::mesoCrystal3DContainer	(	const MesoCrystalItem &	mesoCrystalItem,
		double	total_abundance = 1.0,
		const QVector3D &	origin = {}
	)

Definition at line 347 of file RealSpaceBuilderUtils.cpp.

{
    RealSpaceMesoCrystal mesoCrystalUtils(&mesoCrystalItem, total_abundance, origin,
                                          m_fnColorFromMaterialName);
 
    Particle3DContainer mesoCrystal3DContainer = mesoCrystalUtils.populateMesoCrystal();
 
    return mesoCrystal3DContainer;
}

References RealSpaceMesoCrystal::populateMesoCrystal().

Referenced by particle3DContainerVector().

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particle3DContainerVector()

std::vector< Particle3DContainer > GUI::RealSpace::BuilderUtils::particle3DContainerVector	(	const ParticleLayoutItem &	layoutItem,
		const QVector3D &	origin = {}
	)

Definition at line 211 of file RealSpaceBuilderUtils.cpp.

{
    std::vector<Particle3DContainer> particle3DContainer_vector;
 
    double total_abundance = computeCumulativeAbundances(layoutItem).last();
 
    double cumulative_abundance = 0;
 
    for (auto* particleItem : layoutItem.particles()) {
        Particle3DContainer particle3DContainer;
 
        if (const auto* pItem = dynamic_cast<ParticleItem*>(particleItem)) {
            auto particle = pItem->createParticle();
            particle3DContainer = singleParticle3DContainer(*particle, total_abundance, origin);
        } else if (const auto* coreShellItem = dynamic_cast<ParticleCoreShellItem*>(particleItem)) {
            // If there is no CORE or SHELL to populate inside ParticleCoreShellItem
            if (!coreShellItem->core() || !coreShellItem->shell())
                continue;
            auto particleCoreShell = coreShellItem->createParticleCoreShell();
            particle3DContainer =
                particleCoreShell3DContainer(*particleCoreShell, total_abundance, origin);
        } else if (const auto* compositionItem =
                       dynamic_cast<ParticleCompositionItem*>(particleItem)) {
            // If there is no particle to populate inside ParticleCompositionItem
            if (!compositionItem->particles().empty())
                continue;
            auto particleComposition = compositionItem->createParticleComposition();
            particle3DContainer =
                particleComposition3DContainer(*particleComposition, total_abundance, origin);
        } else if (const auto* mesoCrystalItem = dynamic_cast<MesoCrystalItem*>(particleItem)) {
            // If there is no particle to populate inside MesoCrystalItem
            if (!mesoCrystalItem->basisParticle())
                continue;
            particle3DContainer = GUI::RealSpace::BuilderUtils::mesoCrystal3DContainer(
                *mesoCrystalItem, total_abundance, origin);
        }
 
        cumulative_abundance += particle3DContainer.cumulativeAbundance();
        particle3DContainer.setCumulativeAbundance(cumulative_abundance);
        particle3DContainer_vector.emplace_back(particle3DContainer);
    }
 
    return particle3DContainer_vector;
}

References Particle3DContainer::createParticle(), Particle3DContainer::cumulativeAbundance(), mesoCrystal3DContainer(), ParticleLayoutItem::particles(), and Particle3DContainer::setCumulativeAbundance().

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particleComposition3DContainer()

Particle3DContainer GUI::RealSpace::BuilderUtils::particleComposition3DContainer	(	const ParticleComposition &	particleComposition3DContainer,
		double	total_abundance = 1.0,
		const QVector3D &	origin = {}
	)

Definition at line 309 of file RealSpaceBuilderUtils.cpp.

{
    // clone of the particleComposition
    std::unique_ptr<ParticleComposition> PC_clone(particleComposition.clone());
 
    Particle3DContainer result;
 
    for (const auto& pc_particle : PC_clone->decompose()) {
        ASSERT(pc_particle);
        Particle3DContainer particle3DContainer;
        // no abundances are associated with the individual components of ParticleComposition
        if (const auto* p = dynamic_cast<const ParticleCoreShell*>(pc_particle.get())) {
            particle3DContainer = particleCoreShell3DContainer(*p, 1.0, origin);
        } else if (dynamic_cast<const MesoCrystal*>(pc_particle.get())) {
            // TODO: Implement method to populate MesoCrystal from CORE and NOT from MesoCrystalItem
            // as it is done currently in GUI::RealSpace::BuilderUtils::mesoCrystal3DContainer
            std::ostringstream ostr;
            ostr << "Sorry, MesoCrystal inside ParticleComposition not yet implemented";
            ostr << "\n\nStay tuned!";
            throw std::runtime_error(ostr.str());
        } else if (const auto* p = dynamic_cast<const Particle*>(pc_particle.get()))
            particle3DContainer = singleParticle3DContainer(*p, 1.0, origin);
        else
            ASSERT(0);
 
        // add particles from 3Dcontainer of core-shell/particle into result
        for (size_t i = 0; i < particle3DContainer.containerSize(); ++i) {
            result.addParticle(particle3DContainer.createParticle(i).release(),
                               particle3DContainer.particle3DBlend(i));
        }
    }
    // set the correct abundance for the entire ParticleComposition
    result.setCumulativeAbundance(PC_clone->abundance() / total_abundance);
    result.setParticleType("ParticleComposition");
    return result;
}

References Particle3DContainer::addParticle(), Particle3DContainer::containerSize(), Particle3DContainer::createParticle(), Particle3DContainer::particle3DBlend(), Particle3DContainer::setCumulativeAbundance(), and Particle3DContainer::setParticleType().

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particleCoreShell3DContainer()

Particle3DContainer GUI::RealSpace::BuilderUtils::particleCoreShell3DContainer	(	const ParticleCoreShell &	particleCoreShell,
		double	total_abundance = 1.0,
		const QVector3D &	origin = {}
	)

Definition at line 276 of file RealSpaceBuilderUtils.cpp.

{
    // clone of the particleCoreShell
    std::unique_ptr<ParticleCoreShell> PCS_clone(particleCoreShell.clone());
 
    const auto* coreff = getUnderlyingFormFactor(PCS_clone->coreParticle()->formfactor_at_bottom());
    const auto* shellff =
        getUnderlyingFormFactor(PCS_clone->shellParticle()->formfactor_at_bottom());
 
    auto coreParticle3D = GUI::View::TransformTo3D::createParticlefromFormfactor(coreff);
    auto shellParticle3D = GUI::View::TransformTo3D::createParticlefromFormfactor(shellff);
 
    // core
    applyParticleCoreShellTransformations(*PCS_clone->coreParticle(), *coreParticle3D, *PCS_clone,
                                          to_kvector(origin));
    applyParticleColor(*PCS_clone->coreParticle(), *coreParticle3D);
 
    // shell (set an alpha value of 0.5 for transparency)
    applyParticleCoreShellTransformations(*PCS_clone->shellParticle(), *shellParticle3D, *PCS_clone,
                                          to_kvector(origin));
    applyParticleColor(*PCS_clone->shellParticle(), *shellParticle3D, 0.5);
 
    Particle3DContainer particleCoreShell3DContainer;
 
    particleCoreShell3DContainer.addParticle(coreParticle3D.release(), false); // index 0
    particleCoreShell3DContainer.addParticle(shellParticle3D.release(), true); // index 1
    particleCoreShell3DContainer.setCumulativeAbundance(PCS_clone->abundance() / total_abundance);
    particleCoreShell3DContainer.setParticleType("ParticleCoreShell");
 
    return particleCoreShell3DContainer;
}

References Particle3DContainer::addParticle(), GUI::View::TransformTo3D::createParticlefromFormfactor(), Particle3DContainer::setCumulativeAbundance(), and Particle3DContainer::setParticleType().

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populateParticlesAtLatticePositions()

void GUI::RealSpace::BuilderUtils::populateParticlesAtLatticePositions	(	const std::vector< std::vector< double >> &	lattice_positions,
		const std::vector< Particle3DContainer > &	particle3DContainer_vector,
		GUI::RealSpace::Model *	model,
		const SceneGeometry &	sceneGeometry,
		const RealSpaceBuilder *	builder3D
	)

Definition at line 81 of file RealSpaceBuilderUtils.cpp.

{
    double layer_size = sceneGeometry.layerSize;
    double layer_thickness = sceneGeometry.topOrBottomLayerThickness;
 
    for (std::vector<double> position : lattice_positions) {
        // for random selection of particles based on their abundances
        double rand_num = (rand() / static_cast<double>(RAND_MAX)); // (between 0 and 1)
        int k = 0;
 
        for (const auto& particle3DContainer : particle3DContainer_vector) {
            if (rand_num <= particle3DContainer.cumulativeAbundance()) {
                // lattice position + location (TO BE ADDED)
                double pos_x = position[0];
                double pos_y = position[1];
                double pos_z = 0;
 
                if (std::abs(pos_x) <= layer_size - layerBorderWidth
                    && std::abs(pos_y) <= layer_size - layerBorderWidth
                    && std::abs(pos_z) <= layer_thickness) {
                    builder3D->populateParticleFromParticle3DContainer(
                        model, particle3DContainer,
                        QVector3D(static_cast<float>(position[0]), static_cast<float>(position[1]),
                                  static_cast<float>(0)));
                }
                break;
            }
            ++k;
        }
    }
}

References SceneGeometry::layerSize, RealSpaceBuilder::populateParticleFromParticle3DContainer(), and SceneGeometry::topOrBottomLayerThickness.

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singleParticle3DContainer()

Particle3DContainer GUI::RealSpace::BuilderUtils::singleParticle3DContainer	(	const Particle &	particle,
		double	total_abundance = 1.0,
		const QVector3D &	origin = {}
	)

Definition at line 257 of file RealSpaceBuilderUtils.cpp.

{
    std::unique_ptr<Particle> P_clone(particle.clone()); // clone of the particle
 
    const IFormFactor* ff = getUnderlyingFormFactor(P_clone->formfactor_at_bottom());
 
    auto particle3D = GUI::View::TransformTo3D::createParticlefromFormfactor(ff);
    applyParticleTransformations(*P_clone, *particle3D, to_kvector(origin));
    applyParticleColor(*P_clone, *particle3D);
 
    Particle3DContainer singleParticle3DContainer;
    singleParticle3DContainer.addParticle(particle3D.release(), false);
    singleParticle3DContainer.setCumulativeAbundance(P_clone->abundance() / total_abundance);
    singleParticle3DContainer.setParticleType("Particle");
 
    return singleParticle3DContainer;
}

References Particle3DContainer::addParticle(), GUI::View::TransformTo3D::createParticlefromFormfactor(), Particle3DContainer::setCumulativeAbundance(), and Particle3DContainer::setParticleType().

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Member Data Documentation

m_fnColorFromMaterialName

std::function<QColor(const QString&)> GUI::RealSpace::BuilderUtils::m_fnColorFromMaterialName

private

Definition at line 103 of file RealSpaceBuilderUtils.h.

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The documentation for this class was generated from the following files:

• /home/build/builds/o5h8MZZm/0/mlz/bornagain/GUI/View/Realspace/RealSpaceBuilderUtils.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/GUI/View/Realspace/RealSpaceBuilderUtils.cpp