ParticleLayout.cpp

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/Aggregate/ParticleLayout.cpp
//! @brief     Implements class ParticleLayout.
//!
//! @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/Aggregate/ParticleLayout.h"
#include "Sample/Aggregate/InterferenceNone.h"
#include "Sample/Particle/Particle.h"
 
ParticleLayout::ParticleLayout() = default;
 
ParticleLayout::ParticleLayout(const IParticle& particle, double abundance)
{
    addParticle(particle, abundance);
}
 
ParticleLayout::~ParticleLayout() = default; // needs member class definitions => don't move to .h
 
ParticleLayout* ParticleLayout::clone() const
{
    auto* result = new ParticleLayout();
 
    for (const IParticle* const particle : m_particles)
        result->addAndRegisterAbstractParticle(particle->clone());
 
    if (m_interparticle)
        result->setAndRegisterInterference(m_interparticle->clone());
 
    result->setTotalParticleSurfaceDensity(totalParticleSurfaceDensity());
    result->setWeight(weight());
 
    return result;
}
 
std::vector<const INode*> ParticleLayout::nodeChildren() const
{
    std::vector<const INode*> result;
    for (const IParticle* p : m_particles)
        result.emplace_back(p);
    result << m_interparticle;
    return result;
}
 
//! Adds particle to the layout with abundance, position and the rotation defined.
//! @param particle to be added
//! @param abundance Particle abundance
void ParticleLayout::addParticle(const IParticle& particle, double abundance)
{
    IParticle* particle_clone = particle.clone();
    if (abundance >= 0.0)
        particle_clone->setAbundance(abundance);
    addAndRegisterAbstractParticle(particle_clone);
}
 
std::vector<const IParticle*> ParticleLayout::particles() const
{
    std::vector<const IParticle*> result;
    for (const IParticle* p : m_particles)
        result.emplace_back(p);
    return result;
}
 
const IInterference* ParticleLayout::interferenceFunction() const
{
    return m_interparticle.get();
}
 
double ParticleLayout::totalAbundance() const
{
    double result = 0.0;
    for (const auto& particle : m_particles)
        result += particle->abundance();
    return result;
}
 
//! Adds interference functions
void ParticleLayout::setInterference(const IInterference& interparticle)
{
    setAndRegisterInterference(interparticle.clone());
}
 
double ParticleLayout::totalParticleSurfaceDensity() const
{
    double iff_density = m_interparticle ? m_interparticle->particleDensity() : 0.0;
    return iff_density > 0.0 ? iff_density : m_total_particle_density;
}
 
double ParticleLayout::weightedParticleSurfaceDensity() const
{
    return weight() * totalParticleSurfaceDensity();
}
 
//! Sets total particle surface density.
//! @param particle_density: number of particles per square nanometer
void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density)
{
    m_total_particle_density = particle_density;
}
 
//! Adds particle information with simultaneous registration in parent class.
void ParticleLayout::addAndRegisterAbstractParticle(IParticle* child)
{
    m_particles.emplace_back(child);
}
 
//! Sets interference function with simultaneous registration in parent class
void ParticleLayout::setAndRegisterInterference(IInterference* child)
{
    m_interparticle.reset(child);
}