IFormFactorPolyhedron.cpp

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/HardParticle/IFormFactorPolyhedron.cpp
//! @brief     Implements interface IFormFactorPolyhedron.
//!
//! @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)
//
//  ************************************************************************************************
 
//! The mathematics implemented here is described in full detail in a paper
//! by Joachim Wuttke, entitled
//! "Form factor (Fourier shape transform) of polygon and polyhedron."
 
#include "Sample/HardParticle/IFormFactorPolyhedron.h"
#include "Sample/Particle/PolyhedralUtil.h"
#include <ff/PolyhedralComponents.h>
#include <ff/Polyhedron.h>
 
// #ifdef ALGORITHM_DIAGNOSTIC // TODO restore
// void IFormFactorPolyhedron::setLimits(double _q, int _n)
// {
//     q_limit_series = _q;
//     n_limit_series = _n;
// }
// #endif
 
IFormFactorPolyhedron::IFormFactorPolyhedron(const std::vector<double>& PValues)
    : IFormFactor(PValues)
{
}
 
IFormFactorPolyhedron::~IFormFactorPolyhedron() = default;
 
//! Called by child classes to set faces and other internal variables.
 
void IFormFactorPolyhedron::setPolyhedron(const ff::PolyhedralTopology& topology, double z_bottom,
                                          const std::vector<R3>& vertices)
{
    m_z_bottom = z_bottom;
 
    m_vertices.clear();
    for (const R3& vertex : vertices)
        m_vertices.push_back(vertex - R3{0, 0, z_bottom});
 
    pimpl = std::make_unique<ff::Polyhedron>(topology, vertices);
}
 
double IFormFactorPolyhedron::bottomZ(const IRotation* rotation) const
{
    return PolyhedralUtil::BottomZ(m_vertices, rotation);
}
 
double IFormFactorPolyhedron::topZ(const IRotation* rotation) const
{
    return PolyhedralUtil::TopZ(m_vertices, rotation);
}
 
complex_t IFormFactorPolyhedron::formfactor_at_bottom(C3 q) const
{
    return exp_I(-m_z_bottom * q.z()) * pimpl->formfactor(q);
}
 
double IFormFactorPolyhedron::volume() const
{
    return pimpl->volume();
}
double IFormFactorPolyhedron::radialExtension() const
{
    return pimpl->radius();
}
 
//! Assertions for Platonic solid.
 
void IFormFactorPolyhedron::assert_platonic() const
{
    pimpl->assert_platonic();
}