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|
// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Resample/Coherence/CoheringSubparticles.cpp
//! @brief Implements class CoheringSubparticles.
//!
//! @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 "Resample/Coherence/CoheringSubparticles.h"
#include "Base/Spin/SpinMatrix.h"
#include "Resample/Particle/IReParticle.h"
#include <utility>
struct SubparticlePlacements {
const IReParticle* subparticle;
std::vector<R3> shifts;
};
CoheringSubparticles::~CoheringSubparticles() = default;
CoheringSubparticles::CoheringSubparticles(double abundance, OwningVector<IReParticle>&& terms)
: m_abundance(abundance)
, m_subparticles(std::move(terms))
{
findUniqueSubparticles();
}
complex_t CoheringSubparticles::summedFF(const DiffuseElement& ele) const
{
complex_t result = 0.;
for (const auto& unique : m_unique_subparticles) {
const auto& components = unique.subparticle->calcCoherentComponents(ele);
for (const auto& shift : unique.shifts)
result += unique.subparticle->coherentFF(components, shift);
}
return result;
}
SpinMatrix CoheringSubparticles::summedPolFF(const DiffuseElement& ele) const
{
SpinMatrix result;
for (const auto& unique : m_unique_subparticles) {
const auto& components = unique.subparticle->calcCoherentPolComponents(ele);
for (const auto& shift : unique.shifts)
result += unique.subparticle->coherentPolFF(components, shift);
}
return result;
}
double CoheringSubparticles::radialExtension() const
{
return m_subparticles[0]->radialExtension();
}
void CoheringSubparticles::findUniqueSubparticles()
{
std::vector<bool> is_excluded(m_subparticles.size(), false);
for (size_t i = 0; i < m_subparticles.size(); i++) {
if (is_excluded[i])
continue;
m_unique_subparticles.push_back({m_subparticles[i], {R3()}});
const R3* unique_pos = m_subparticles[i]->position();
for (size_t k = i + 1; k < m_subparticles.size(); k++)
if (!is_excluded[k] && m_subparticles[k]->consideredEqualTo(*m_subparticles[i])) {
const R3* other_pos = m_subparticles[k]->position();
m_unique_subparticles.back().shifts.push_back(
IReParticle::posDiff(other_pos, unique_pos));
is_excluded[k] = true;
}
}
}
|
