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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/HardParticle/HemiEllipsoid.cpp
//! @brief Implements class HemiEllipsoid.
//!
//! @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/HemiEllipsoid.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;
HemiEllipsoid::HemiEllipsoid(const std::vector<double> P)
: IFormfactor(P)
, m_radius_x(m_P[0])
, m_radius_y(m_P[1])
, m_radius_z(m_P[2])
{
validateOrThrow();
}
HemiEllipsoid::HemiEllipsoid(double radius_x, double radius_y, double radius_z)
: HemiEllipsoid(std::vector<double>{radius_x, radius_y, radius_z})
{
}
double HemiEllipsoid::radialExtension() const
{
ASSERT(m_validated);
return (m_radius_x + m_radius_y) / 2.0;
}
complex_t HemiEllipsoid::formfactor(C3 q) const
{
ASSERT(m_validated);
const double R = m_radius_x;
const double W = m_radius_y;
const double H = m_radius_z;
const complex_t G = std::sqrt((q.x() * R) * (q.x() * R) + (q.y() * W) * (q.y() * W));
const complex_t HQ = q.z() * H;
if (std::abs(q.mag()) <= std::numeric_limits<double>::epsilon())
return (2 * pi) * R * W * H / 3.;
return (2 * pi) * H * R * W
* ComplexIntegrator().integrate(
[=](double z) {
const double cz = 1 - z * z;
return cz * Math::Bessel::J1c(G * std::sqrt(cz)) * exp_I(HQ * z);
},
0., 1.);
}
std::string HemiEllipsoid::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_radius_x, "radius_x");
requestGt0(errs, m_radius_y, "radius_y");
requestGt0(errs, m_radius_z, "radius_z");
if (!errs.empty())
return jointError(errs);
m_shape3D = std::make_unique<TruncatedEllipsoidNet>(m_radius_x, m_radius_x, m_radius_z,
m_radius_z, 0.0);
m_validated = true;
return "";
}
bool HemiEllipsoid::contains(const R3& position) const
{
double a = radiusX(); // semi-axis length along x
double b = radiusY(); // semi-axis length along y
double c = radiusZ(); // semi-axis length along z
if (std::abs(position.x()) > a || std::abs(position.y()) > b || position.z() < 0
|| position.z() > c)
return false;
if (std::pow(position.x() / a, 2) + std::pow(position.y() / b, 2)
+ std::pow(position.z() / c, 2)
<= 1)
return true;
return false;
}
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