IFormFactor.cpp

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/Particle/IFormFactor.cpp
//! @brief     Implements interface class IFormFactor.
//!
//! @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/Particle/IFormFactor.h"
#include "Base/Py/PyFmt.h"
#include "Base/Util/StringUtils.h"
#include "Base/Vector/WavevectorInfo.h"
#include "Sample/Particle/PolyhedralUtil.h"
#include "Sample/Scattering/Rotations.h"
#include "Sample/Shapes/IShape3D.h"
#include <stdexcept>
 
IFormFactor::IFormFactor() = default;
 
IFormFactor::IFormFactor(const std::vector<double>& PValues)
    : ISampleNode(PValues)
{
}
 
IFormFactor::~IFormFactor() = default;
 
std::string IFormFactor::shapeName() const
{
    if (className().substr(0, 10) == "FormFactor")
        return className().substr(10);
    return className();
}
 
complex_t IFormFactor::theFF(const WavevectorInfo& wavevectors) const
{
    return formfactor_at_bottom(wavevectors.getQ());
}
 
SpinMatrix IFormFactor::thePolFF(const WavevectorInfo& wavevectors) const
{
    return formfactor_pol(wavevectors.getQ());
}
 
double IFormFactor::bottomZ(const IRotation* rotation) const
{
    if (!m_shape3D)
        throw std::runtime_error("Bug: Form factor has no m_shape3D, cannot compute bottom z");
    return PolyhedralUtil::BottomZ(m_shape3D->vertices(), rotation);
}
 
double IFormFactor::topZ(const IRotation* rotation) const
{
    if (!m_shape3D)
        throw std::runtime_error("Bug: Form factor has no m_shape3D, cannot compute top z");
    return PolyhedralUtil::TopZ(m_shape3D->vertices(), rotation);
}
 
bool IFormFactor::canSliceAnalytically(const IRotation* rotation) const
{
    return !rotation || rotation->zInvariant();
}
 
std::string IFormFactor::pythonConstructor() const
{
    std::vector<std::pair<double, std::string>> arguments;
    for (size_t i = 0; i < parDefs().size(); i++)
        arguments.emplace_back(m_P[i], parDefs()[i].unit);
 
    return Py::Fmt::printFunction(className(), arguments);
}
 
SpinMatrix IFormFactor::formfactor_pol(C3 q) const
{
    return formfactor_at_bottom(q) * SpinMatrix::One();
}
 
double IFormFactor::volume() const
{
    return std::abs(formfactor_at_bottom(C3()));
}