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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/HardParticle/SpheroidalSegment.cpp
//! @brief Implements class SpheroidalSegment.
//!
//! @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/SpheroidalSegment.h"
#include "Base/Math/Bessel.h"
#include "Base/Math/IntegratorGK.h"
#include "Base/Util/Assert.h"
#include "Sample/Shape/TruncatedEllipsoidNet.h"
#include <limits>
#include <numbers>
using std::numbers::pi;
SpheroidalSegment::SpheroidalSegment(const std::vector<double> P)
: IFormfactor(P)
, m_radius_xy(m_P[0])
, m_radius_z(m_P[1])
, m_rm_top(m_P[2])
, m_rm_bottom(m_P[3])
{
validateOrThrow();
}
SpheroidalSegment::SpheroidalSegment(double radius_xy, double radius_z, double rm_top,
double rm_bottom)
: SpheroidalSegment(std::vector<double>{radius_xy, radius_z, rm_top, rm_bottom})
{
}
complex_t SpheroidalSegment::formfactor(C3 q) const
{
ASSERT(m_validated);
const double H = 2 * m_radius_z - m_rm_bottom;
const double R = m_radius_xy;
const double fp = m_radius_z / m_radius_xy;
const double dh = m_rm_top;
const double R2 = R * R;
const complex_t Qp = std::sqrt(q.x() * q.x() + q.y() * q.y());
const complex_t Qz = q.z() * fp;
if (std::abs(q.mag()) <= std::numeric_limits<double>::epsilon())
return pi / 3. / fp * (H * H * (3. * R - H / fp) - dh * dh * (3. * R - dh / fp));
return (2 * pi) * exp_I(q.z() * (H - fp * R)) * fp
* ComplexIntegrator().integrate(
[=](double Z) {
const double R2Z2 = R2 - Z * Z;
return R2Z2 * Math::Bessel::J1c(Qp * std::sqrt(R2Z2)) * exp_I(Qz * Z);
},
R - H / fp, R - dh / fp);
}
std::string SpheroidalSegment::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_radius_xy, "radius_xy");
requestGt0(errs, m_radius_z, "radius_z");
requestGe0(errs, m_rm_top, "removed_top");
requestGe0(errs, m_rm_bottom, "removed_bottom");
if (m_rm_top > (2 * m_radius_z - m_rm_bottom))
errs.emplace_back("parameters violate condition rm_top<=H");
if (m_rm_bottom > (2 * m_radius_z - m_rm_top))
errs.emplace_back("parameters violate condition rm_bottom<=H");
if (!errs.empty())
return jointError(errs);
double untruncated_height = 2 * m_radius_z - m_rm_bottom;
m_shape3D = std::make_unique<TruncatedEllipsoidNet>(m_radius_xy, m_radius_xy, m_radius_z,
untruncated_height, m_rm_top);
m_validated = true;
return "";
}
bool SpheroidalSegment::contains(const R3&) const
{
// TODO: Implement Truncated spheroid
std::ostringstream ostr;
ostr << "Outer shape Truncated spheroid not yet implemented for Mesocrystal";
ostr << "\n\nStay tuned!";
throw std::runtime_error(ostr.str());
}
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