ParticleCompositionBuilder.cpp

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/StandardSamples/ParticleCompositionBuilder.cpp
//! @brief     Implements class ParticleCompositionBuilder.
//!
//! @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/StandardSamples/ParticleCompositionBuilder.h"
#include "Sample/Aggregate/Interference2DLattice.h"
#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/Correlations/Profiles2D.h"
#include "Sample/HardParticle/Sphere.h"
#include "Sample/Multilayer/Layer.h"
#include "Sample/Multilayer/MultiLayer.h"
#include "Sample/Particle/Particle.h"
#include "Sample/Particle/ParticleComposition.h"
#include "Sample/StandardSamples/ReferenceMaterials.h"
 
// --- ParticleCompositionBuilder ---
 
MultiLayer* ExemplarySamples::createParticleComposition()
{
    Layer vacuum_layer(refMat::Vacuum);
    Layer substrate_layer(refMat::Substrate);
 
    double radius(10.0);
    Sphere sphere_ff(radius);
    Particle sphere(refMat::Particle, sphere_ff);
    ParticleLayout particle_layout;
 
    std::vector<R3> positions = {{},
                                 {radius, radius / std::sqrt(3.0), std::sqrt(8.0 / 3.0) * radius}};
 
    ParticleComposition basis;
 
    basis.addParticles(sphere, positions);
    particle_layout.addParticle(basis);
 
    Interference2DLattice iff(HexagonalLattice2D(radius * 2.0, 0));
    Profile2DCauchy pdf(10, 10, 0);
    iff.setDecayFunction(pdf);
 
    particle_layout.setInterference(iff);
 
    vacuum_layer.addLayout(particle_layout);
 
    auto* sample = new MultiLayer();
    sample->addLayer(vacuum_layer);
    sample->addLayer(substrate_layer);
    return sample;
}