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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/HardParticle/LongBoxGauss.cpp
//! @brief Implements class LongBoxGauss.
//!
//! @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/HardParticle/LongBoxGauss.h"
#include "Base/Math/Functions.h"
#include "Sample/Shape/BoxNet.h"
LongBoxGauss::LongBoxGauss(const std::vector<double> P)
: IFormfactor(P)
, m_length(m_P[0])
, m_width(m_P[1])
, m_height(m_P[2])
{
validateOrThrow();
}
LongBoxGauss::LongBoxGauss(double length, double width, double height)
: LongBoxGauss(std::vector<double>{length, width, height})
{
}
complex_t LongBoxGauss::formfactor(C3 q) const
{
complex_t qxL2 = std::pow(m_length * q.x(), 2) / 2.0;
complex_t qyWdiv2 = m_width * q.y() / 2.0;
complex_t qzHdiv2 = m_height * q.z() / 2.0;
return m_height * m_length * m_width * exp_I(qzHdiv2) * std::exp(-qxL2) * Math::sinc(qyWdiv2)
* Math::sinc(qzHdiv2);
}
std::string LongBoxGauss::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_length, "length");
requestGt0(errs, m_width, "width");
requestGt0(errs, m_height, "height");
if (!errs.empty())
return jointError(errs);
m_shape3D = std::make_unique<BoxNet>(m_length, m_width, m_height);
m_validated = true;
return "";
}
bool LongBoxGauss::contains(const R3&) const
{
throw std::runtime_error("LongBoxGauss cannot be used as mesocrystal outer shape");
}
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