ParticleComposition.cpp

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/Particle/ParticleComposition.cpp
//! @brief     Implements class ParticleComposition.
//!
//! @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)
//
//  ************************************************************************************************
 
#include "Sample/Particle/ParticleComposition.h"
#include "Sample/Particle/FormFactorWeighted.h"
#include "Sample/Particle/ParticleDistribution.h"
#include "Sample/Scattering/Rotations.h"
 
ParticleComposition::ParticleComposition()
{
    initialize();
}
 
ParticleComposition::ParticleComposition(const IParticle& particle,
                                         std::vector<kvector_t> positions)
{
    initialize();
    addParticles(particle, positions);
}
 
ParticleComposition::~ParticleComposition() = default;
 
ParticleComposition* ParticleComposition::clone() const
{
    ParticleComposition* result = new ParticleComposition();
    result->setAbundance(m_abundance);
    for (size_t index = 0; index < m_particles.size(); ++index)
        result->addParticle(*m_particles[index]);
    if (m_rotation)
        result->setRotation(*m_rotation);
    result->setPosition(m_position);
    return result;
}
 
IFormFactor* ParticleComposition::createFormFactor() const
{
    if (m_particles.empty())
        return {};
    auto* result = new FormFactorWeighted;
    auto particles = decompose();
    for (const auto* particle : particles) {
        std::unique_ptr<IFormFactor> P_particle_ff(particle->createFormFactor());
        result->addFormFactor(*P_particle_ff);
    }
    return result;
}
 
void ParticleComposition::addParticle(const IParticle& particle)
{
    IParticle* np = particle.clone();
    addParticlePointer(np);
}
 
void ParticleComposition::addParticle(const IParticle& particle, kvector_t position)
{
    IParticle* np = particle.clone();
    np->translate(position);
    addParticlePointer(np);
}
 
// Please note, that positions is not const reference here. This is intentional, to
// enable python lists to std::vector conversion
void ParticleComposition::addParticles(const IParticle& particle, std::vector<kvector_t> positions)
{
    for (size_t i = 0; i < positions.size(); ++i)
        addParticle(particle, positions[i]);
}
 
std::vector<const INode*> ParticleComposition::getChildren() const
{
    std::vector<const INode*> result = IParticle::getChildren();
    for (auto& P_particle : m_particles)
        result.push_back(P_particle.get());
    return result;
}
 
SafePointerVector<IParticle> ParticleComposition::decompose() const
{
    SafePointerVector<IParticle> result;
    auto* rot = rotation();
    auto translation = position();
    for (const auto& particle : m_particles) {
        const auto sublist = particle->decompose();
        for (auto* subparticle : sublist) {
            if (rot)
                subparticle->rotate(*rot);
            subparticle->translate(translation);
            result.push_back(subparticle->clone());
        }
    }
    return result;
}
 
ParticleLimits ParticleComposition::bottomTopZ() const
{
    const auto particles = decompose();
    ParticleLimits result = particles[check_index(0)]->bottomTopZ();
    for (const auto& particle : particles) {
        ParticleLimits limits = particle->bottomTopZ();
        result.m_bottom = std::min(result.m_bottom, limits.m_bottom);
        result.m_top = std::max(result.m_top, limits.m_top);
    }
    return result;
}
 
size_t ParticleComposition::check_index(size_t index) const
{
    return index < m_particles.size()
               ? index
               : throw std::runtime_error(
                   "ParticleComposition::check_index() -> Index is out of bounds");
}
 
void ParticleComposition::addParticlePointer(IParticle* p_particle)
{
    p_particle->registerAbundance(false);
    registerChild(p_particle);
    m_particles.emplace_back(p_particle);
}
 
void ParticleComposition::initialize()
{
    setName("ParticleComposition");
    registerParticleProperties();
}