RealSpaceMesoCrystal Class Reference

Description

Definition at line 28 of file RealSpaceMesoCrystalUtils.h.

Collaboration diagram for RealSpaceMesoCrystal:

Public Member Functions
	RealSpaceMesoCrystal (const MesoCrystalItem *mesoCrystalItem, double total_abundance, const QVector3D &origin, std::function< QColor(const QString &)> fnColorFromMaterialName)
	~RealSpaceMesoCrystal ()=default
Particle3DContainer	populateMesoCrystal ()

Private Attributes
std::unique_ptr< GUI::RealSpace::BuilderUtils >	m_builderUtils
const MesoCrystalItem *	m_mesoCrystalItem
QVector3D	m_origin
double	m_total_abundance

Constructor & Destructor Documentation

~RealSpaceMesoCrystal()

RealSpaceMesoCrystal::~RealSpaceMesoCrystal ( )

default

RealSpaceMesoCrystal()

RealSpaceMesoCrystal::RealSpaceMesoCrystal	(	const MesoCrystalItem *	mesoCrystalItem,
		double	total_abundance,
		const QVector3D &	origin,
		std::function< QColor(const QString &)>	fnColorFromMaterialName
	)

Definition at line 363 of file RealSpaceMesoCrystalUtils.cpp.

{
    m_mesoCrystalItem = mesoCrystalItem;
    m_total_abundance = total_abundance;
    m_origin = origin;
    m_builderUtils = std::make_unique<GUI::RealSpace::BuilderUtils>(fnColorFromMaterialName);
}

References m_builderUtils, m_mesoCrystalItem, m_origin, and m_total_abundance.

Member Function Documentation

populateMesoCrystal()

Particle3DContainer RealSpaceMesoCrystal::populateMesoCrystal

(

)

Definition at line 373 of file RealSpaceMesoCrystalUtils.cpp.

{
    auto mesoCrystal = m_mesoCrystalItem->createMesoCrystal();
 
    std::unique_ptr<MesoCrystal> M_clone(mesoCrystal->clone()); // clone of the mesoCrystal
 
    // These methods DO NOT add rotation/translation of the mesoCrystal to its children
    // and hence they need to be added manually
    auto lattice = m_mesoCrystalItem->getLattice();
    auto particleBasis = m_mesoCrystalItem->getBasis();
    auto outerShapeff = m_mesoCrystalItem->getOuterShape();
 
    const auto* mesoCrystal_rotation = M_clone->rotation();
    auto mesoCrystal_translation = M_clone->particlePosition();
 
    Particle3DContainer mesoCrystalBasis3DContainer;
 
    if (dynamic_cast<const ParticleComposition*>(particleBasis.get())) {
        const auto* particleComposition =
            dynamic_cast<const ParticleComposition*>(particleBasis.get());
        mesoCrystalBasis3DContainer =
            m_builderUtils->particleComposition3DContainer(*particleComposition, 1.0, m_origin);
    } else if (dynamic_cast<const ParticleCoreShell*>(particleBasis.get())) {
        const auto* particleCoreShell = dynamic_cast<const ParticleCoreShell*>(particleBasis.get());
        mesoCrystalBasis3DContainer =
            m_builderUtils->particleCoreShell3DContainer(*particleCoreShell, 1.0, m_origin);
    } else if (dynamic_cast<const MesoCrystal*>(particleBasis.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 MesoCrystal not yet implemented";
        ostr << "\n\nStay tuned!";
        throw std::runtime_error(ostr.str());
    } else {
        const auto* particle = dynamic_cast<const Particle*>(particleBasis.get());
        mesoCrystalBasis3DContainer =
            m_builderUtils->singleParticle3DContainer(*particle, 1.0, m_origin);
    }
 
    Particle3DContainer mesoCrystal3DContainer;
 
    for (int k = -n; k <= n; k++) {
        for (int j = -n; j <= n; j++) {
            for (int i = -n; i <= n; i++) {
                auto positionInside = i * lattice.basisVectorA() + j * lattice.basisVectorB()
                                      + k * lattice.basisVectorC();
 
                if (isPositionInsideMesoCrystal(outerShapeff.get(), positionInside)) {
                    for (size_t it = 0; it < mesoCrystalBasis3DContainer.containerSize(); ++it) {
                        auto particle3D = mesoCrystalBasis3DContainer.createParticle(it);
                        particle3D->addTranslation(
                            QVector3D(static_cast<float>(positionInside.x()),
                                      static_cast<float>(positionInside.y()),
                                      static_cast<float>(positionInside.z())));
 
                        particle3D->addExtrinsicRotation(
                            m_builderUtils->implementParticleRotationfromIRotation(
                                mesoCrystal_rotation));
 
                        particle3D->addTranslation(
                            QVector3D(static_cast<float>(mesoCrystal_translation.x()),
                                      static_cast<float>(mesoCrystal_translation.y()),
                                      static_cast<float>(mesoCrystal_translation.z())));
 
                        mesoCrystal3DContainer.addParticle(
                            particle3D.release(), mesoCrystalBasis3DContainer.particle3DBlend(it));
                    }
                }
            }
        }
    }
 
    // Add outer shape for visualization
    auto outerShape3D = GUI::View::TransformTo3D::createParticlefromFormfactor(outerShapeff.get());
    outerShape3D->addTransform(
        m_builderUtils->implementParticleRotationfromIRotation(mesoCrystal_rotation),
        QVector3D(static_cast<float>(mesoCrystal_translation.x()),
                  static_cast<float>(mesoCrystal_translation.y()),
                  static_cast<float>(mesoCrystal_translation.z())));
 
    // assign grey (default) color to the outer shape
    QColor color = {};
    color.setAlphaF(0.3);
    outerShape3D->color = color;
    mesoCrystal3DContainer.addParticle(outerShape3D.release(), true);
 
    // set the correct abundance for the MesoCrystal
    mesoCrystal3DContainer.setCumulativeAbundance(M_clone->abundance() / m_total_abundance);
    mesoCrystal3DContainer.setParticleType("MesoCrystal");
 
    return mesoCrystal3DContainer;
}

References Particle3DContainer::addParticle(), Particle3DContainer::containerSize(), MesoCrystalItem::createMesoCrystal(), Particle3DContainer::createParticle(), GUI::View::TransformTo3D::createParticlefromFormfactor(), MesoCrystalItem::getBasis(), MesoCrystalItem::getLattice(), MesoCrystalItem::getOuterShape(), m_builderUtils, m_mesoCrystalItem, m_origin, m_total_abundance, Particle3DContainer::particle3DBlend(), Particle3DContainer::setCumulativeAbundance(), and Particle3DContainer::setParticleType().

Referenced by GUI::RealSpace::BuilderUtils::mesoCrystal3DContainer().

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Member Data Documentation

m_builderUtils

std::unique_ptr<GUI::RealSpace::BuilderUtils> RealSpaceMesoCrystal::m_builderUtils

private

Definition at line 42 of file RealSpaceMesoCrystalUtils.h.

Referenced by RealSpaceMesoCrystal(), and populateMesoCrystal().

m_mesoCrystalItem

const MesoCrystalItem* RealSpaceMesoCrystal::m_mesoCrystalItem

private

Definition at line 39 of file RealSpaceMesoCrystalUtils.h.

Referenced by RealSpaceMesoCrystal(), and populateMesoCrystal().

m_origin

QVector3D RealSpaceMesoCrystal::m_origin

private

Definition at line 41 of file RealSpaceMesoCrystalUtils.h.

Referenced by RealSpaceMesoCrystal(), and populateMesoCrystal().

m_total_abundance

double RealSpaceMesoCrystal::m_total_abundance

private

Definition at line 40 of file RealSpaceMesoCrystalUtils.h.

Referenced by RealSpaceMesoCrystal(), and populateMesoCrystal().

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