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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/Particle/IFormfactor.cpp
//! @brief Implements class interface 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/Type/Span.h"
#include "Base/Util/Assert.h"
#include "Base/Util/StringUtil.h"
#include "Base/Vector/WavevectorInfo.h"
#include "Sample/Particle/PolyhedralUtil.h"
#include "Sample/Scattering/Rotations.h"
#include "Sample/Shape/IShape3D.h"
#include <sstream>
#include <stdexcept>
IFormfactor::IFormfactor() = default;
IFormfactor::IFormfactor(const std::vector<double>& PValues)
: ISampleNode(PValues)
{
}
IFormfactor::~IFormfactor() = default;
double IFormfactor::volume() const
{
return std::abs(formfactor(C3()));
}
Span IFormfactor::spanZ(const IRotation* rotation) const
{
ASSERT(m_shape3D);
return PolyhedralUtil::spanZ(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);
}
complex_t IFormfactor::theFF(const WavevectorInfo& wavevectors) const
{
const complex_t result = formfactor(wavevectors.getQ());
if (!std::isfinite(result.real()) || !std::isfinite(result.imag())) {
std::stringstream msg;
msg << "Infinite form factor " << result << " at ki " << wavevectors.getKi() << " kf "
<< wavevectors.getKf() << " q " << wavevectors.getQ();
throw std::runtime_error(msg.str());
}
return result;
}
SpinMatrix IFormfactor::thePolFF(const WavevectorInfo& wavevectors) const
{
return formfactor_pol(wavevectors.getQ());
}
SpinMatrix IFormfactor::formfactor_pol(C3 q) const
{
return formfactor(q) * SpinMatrix::One();
}
bool IFormfactor::isEqualTo(const IFormfactor* other) const
{
ASSERT(!className().empty());
ASSERT(!other->className().empty());
return className() == other->className() && pars() == other->pars();
}
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