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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/Correlation/IPeakShape.h
//! @brief Defines the interface IPeakShape and subclasses.
//!
//! @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)
//
// ************************************************************************************************
#ifndef BORNAGAIN_SAMPLE_CORRELATION_IPEAKSHAPE_H
#define BORNAGAIN_SAMPLE_CORRELATION_IPEAKSHAPE_H
#include "Base/Type/ICloneable.h"
#include "Param/Node/INode.h"
#include <heinz/Vectors3D.h>
//! Abstract base class class that defines the peak shape of a Bragg peak.
class IPeakShape : public ICloneable, public INode {
public:
IPeakShape() = default;
IPeakShape(const std::vector<double>& PValues);
~IPeakShape() override;
#ifndef SWIG
IPeakShape* clone() const override = 0;
#endif // SWIG
//! Peak shape at q from a reciprocal lattice point at q_lattice_point
virtual double peakDistribution(const R3& q, const R3& q_lattice_point) const = 0;
//! Indicates if the peak shape encodes angular disorder, in which case all peaks in a
//! spherical shell are needed
virtual bool angularDisorder() const { return false; }
};
//! Class that implements an isotropic Gaussian peak shape of a Bragg peak.
class IsotropicGaussPeakShape : public IPeakShape {
public:
IsotropicGaussPeakShape(double max_intensity, double domainsize);
~IsotropicGaussPeakShape() override;
#ifndef SWIG
IsotropicGaussPeakShape* clone() const override;
#endif // SWIG
std::string className() const final { return "IsotropicGaussPeakShape"; }
std::vector<ParaMeta> parDefs() const final
{
return {{"MaxIntensity", ""}, {"DomainSize", "nm"}};
}
double peakDistribution(const R3& q, const R3& q_lattice_point) const override;
private:
double peakDistribution(const R3& q) const;
double m_max_intensity;
double m_domainsize;
};
//! An isotropic Lorentzian peak shape of a Bragg peak.
class IsotropicLorentzPeakShape : public IPeakShape {
public:
IsotropicLorentzPeakShape(double max_intensity, double domainsize);
~IsotropicLorentzPeakShape() override;
#ifndef SWIG
IsotropicLorentzPeakShape* clone() const override;
#endif // SWIG
std::string className() const final { return "IsotropicLorentzPeakShape"; }
std::vector<ParaMeta> parDefs() const final
{
return {{"MaxIntensity", ""}, {"DomainSize", "nm"}};
}
double peakDistribution(const R3& q, const R3& q_lattice_point) const override;
private:
double peakDistribution(const R3& q) const;
double m_max_intensity;
double m_domainsize;
};
//! A peak shape that is Gaussian in the radial direction and
//! uses the Mises-Fisher distribution in the angular direction.
class GaussFisherPeakShape : public IPeakShape {
public:
GaussFisherPeakShape(double max_intensity, double radial_size, double kappa);
~GaussFisherPeakShape() override;
#ifndef SWIG
GaussFisherPeakShape* clone() const override;
#endif // SWIG
std::string className() const final { return "GaussFisherPeakShape"; }
std::vector<ParaMeta> parDefs() const final
{
return {{"MaxIntensity", ""}, {"DomainSize", "nm"}, {"Kappa", ""}};
}
double peakDistribution(const R3& q, const R3& q_lattice_point) const override;
bool angularDisorder() const override { return true; }
private:
double m_max_intensity;
double m_radial_size;
double m_kappa;
};
//! A peak shape that is Lorentzian in the radial direction and uses the
//! Mises-Fisher distribution in the angular direction.
class LorentzFisherPeakShape : public IPeakShape {
public:
LorentzFisherPeakShape(double max_intensity, double radial_size, double kappa);
~LorentzFisherPeakShape() override;
#ifndef SWIG
LorentzFisherPeakShape* clone() const override;
#endif // SWIG
std::string className() const final { return "LorentzFisherPeakShape"; }
std::vector<ParaMeta> parDefs() const final
{
return {{"MaxIntensity", ""}, {"DomainSize", "nm"}, {"Kappa", ""}};
}
double peakDistribution(const R3& q, const R3& q_lattice_point) const override;
bool angularDisorder() const override { return true; }
private:
double m_max_intensity;
double m_radial_size;
double m_kappa;
};
//! A peak shape that is Gaussian in the radial direction and a convolution of a
//! Mises-Fisher distribution with a Mises distribution on the two-sphere.
class MisesFisherGaussPeakShape : public IPeakShape {
public:
MisesFisherGaussPeakShape(double max_intensity, double radial_size, const R3& zenith,
double kappa_1, double kappa_2);
~MisesFisherGaussPeakShape() override;
#ifndef SWIG
MisesFisherGaussPeakShape* clone() const override;
#endif // SWIG
std::string className() const final { return "MisesFisherGaussPeakShape"; }
std::vector<ParaMeta> parDefs() const final
{
return {{"MaxIntensity", ""}, {"Radial Size", "nm"}, {"Kappa1", ""}, {"Kappa2", ""}};
}
double peakDistribution(const R3& q, const R3& q_lattice_point) const override;
bool angularDisorder() const override { return true; }
private:
double m_max_intensity;
double m_radial_size;
R3 m_zenith;
double m_kappa_1, m_kappa_2;
};
//! A peak shape that is a convolution of a Mises-Fisher distribution with a 3d Gaussian.
class MisesGaussPeakShape : public IPeakShape {
public:
MisesGaussPeakShape(double max_intensity, double radial_size, const R3& zenith, double kappa);
~MisesGaussPeakShape() override;
#ifndef SWIG
MisesGaussPeakShape* clone() const override;
#endif // SWIG
std::string className() const final { return "MisesGaussPeakShape"; }
std::vector<ParaMeta> parDefs() const final
{
return {{"MaxIntensity", ""}, {"Radial Size", "nm"}, {"Kappa", ""}};
}
double peakDistribution(const R3& q, const R3& q_lattice_point) const override;
bool angularDisorder() const override { return true; }
private:
double m_max_intensity;
double m_radial_size;
R3 m_zenith;
double m_kappa;
};
#endif // BORNAGAIN_SAMPLE_CORRELATION_IPEAKSHAPE_H
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