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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/HardParticle/Spheroid.cpp
//! @brief Implements class Spheroid.
//!
//! @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/Spheroid.h"
#include "Base/Math/Functions.h"
#include "Base/Util/Assert.h"
#include "Sample/HardParticle/SpheroidalSegment.h"
#include "Sample/Shape/TruncatedEllipsoidNet.h"
#include <limits>
#include <numbers>
using std::numbers::pi;
Spheroid::Spheroid(const std::vector<double> P)
: IFormfactor(P)
, m_radius_xy(m_P[0])
, m_radius_z(m_P[1])
{
validateOrThrow();
m_shape3D = std::make_unique<TruncatedEllipsoidNet>(m_radius_xy, m_radius_xy, m_radius_z,
2 * m_radius_z, 0.0);
}
Spheroid::Spheroid(double radius_xy, double radius_z)
: Spheroid(std::vector<double>{radius_xy, radius_z})
{
}
complex_t Spheroid::formfactor(C3 q) const
{
ASSERT(m_validated);
double h = m_radius_z;
double R = m_radius_xy;
// complex length of q (not a sesquilinear dot product!),
// xy components multiplied with R, z component multiplied with h
complex_t qR = sqrt(R * R * (q.x() * q.x() + q.y() * q.y()) + h * h * q.z() * q.z());
complex_t zFactor = exp_I(h * q.z());
if (std::abs(qR) < 1e-4)
// expand sin(qR)-qR*cos(qR) up to qR^5
return 4 * pi / 3 * R * R * h * (1. - 0.1 * pow(qR, 2)) * zFactor;
return 4 * pi / pow(qR, 3) * R * R * h * (sin(qR) - qR * cos(qR)) * zFactor;
}
std::string Spheroid::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_radius_xy, "radius_x");
requestGt0(errs, m_radius_z, "radius_z");
if (!errs.empty())
return jointError(errs);
m_validated = true;
return "";
}
bool Spheroid::contains(const R3& position) const
{
double rx = radiusXY(); // semi-axis length along x and y
double rz = radiusZ(); // semi-axis length along z
double H = 2 * rz;
if (std::abs(position.x()) > rx || std::abs(position.y()) > rx || position.z() < 0
|| position.z() > H)
return false;
if (std::pow(position.x() / rx, 2) + std::pow(position.y() / rx, 2)
+ std::pow((position.z() - rz) / rz, 2)
<= 1)
return true;
return false;
}
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