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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/StandardSample/CompoundBuilder.cpp
//! @brief Implements class CompoundBuilder.
//!
//! @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/StandardSample/CompoundBuilder.h"
#include "Sample/Aggregate/Interference2DLattice.h"
#include "Sample/Aggregate/ParticleLayout.h"
#include "Sample/Correlation/Profiles2D.h"
#include "Sample/HardParticle/Cylinder.h"
#include "Sample/HardParticle/Sphere.h"
#include "Sample/Multilayer/Layer.h"
#include "Sample/Multilayer/Sample.h"
#include "Sample/Particle/Compound.h"
#include "Sample/Particle/Particle.h"
#include "Sample/StandardSample/ReferenceMaterials.h"
// --- CompoundBuilder ---
Sample* ExemplarySamples::createCompound()
{
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}};
Compound basis;
basis.addComponents(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 Sample;
sample->addLayer(vacuum_layer);
sample->addLayer(substrate_layer);
return sample;
}
Sample* ExemplarySamples::createCompoundPlus()
{
int n_lim = 1;
double L = 10.0;
double R = 4.0;
Sphere sphere_ff(R);
Particle sphere(refMat::Particle, sphere_ff);
ParticleLayout particle_layout;
double size = L * (2 * n_lim + 1 - 1) + 2 * R;
Cylinder outer_shape_ff(size / 2, size);
std::vector<R3> positions;
for (int i = -n_lim; i <= n_lim; i++)
for (int j = -n_lim; j <= n_lim; j++)
for (int k = 0; k <= 2 * n_lim; k++) {
R3 pos = {i * L, j * L, k * L};
if (outer_shape_ff.contains(pos))
positions.push_back(pos);
}
Compound basis;
basis.addComponents(sphere, positions);
particle_layout.addParticle(basis);
Layer vacuum_layer(refMat::Vacuum);
vacuum_layer.addLayout(particle_layout);
Layer substrate_layer(refMat::Substrate);
auto* sample = new Sample;
sample->addLayer(vacuum_layer);
sample->addLayer(substrate_layer);
return sample;
}
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