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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Resample/Particle/IReParticle.h
//! @brief Defines and implements interface IReParticle.
//!
//! @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)
//
// ************************************************************************************************
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
#ifndef BORNAGAIN_RESAMPLE_PARTICLE_IREPARTICLE_H
#define BORNAGAIN_RESAMPLE_PARTICLE_IREPARTICLE_H
#include "Base/Spin/SpinMatrix.h"
#include "Base/Type/ICloneable.h"
#include "Base/Vector/WavevectorInfo.h"
#include <heinz/Complex.h>
#include <heinz/Vectors3D.h>
#include <memory>
#include <optional>
#include <vector>
class DiffuseElement; // used by all children
class IRotation;
class Material;
class Span;
struct OneAdmixture;
//! Auxilary struct to store one polarized DWBA component.
struct PolarizedTerm {
WavevectorInfo wavevectors;
SpinMatrix dwba_term;
};
//! Auxilary struct to store one scalar DWBA component.
struct ScalarTerm {
WavevectorInfo wavevectors;
complex_t dwba_term;
};
//! Abstract base class for reprocessed particles.
//!
//! Reprocessing is necessary to handle particles that cross material layers.
//! These particles are divided into several.
class IReParticle : public ICloneable {
protected:
IReParticle();
IReParticle(const std::optional<size_t>& i_layer);
public:
~IReParticle() override;
#ifndef SWIG
IReParticle* clone() const override = 0;
#endif // SWIG
//! Passes the material in which this particle is embedded.
virtual void setAmbientMaterial(const Material&) {}
//! Returns scattering amplitude for complex wavevectors ki, kf.
virtual complex_t theFF(const WavevectorInfo& wavevectors) const = 0;
//! Returns scattering amplitude for matrix interactions
virtual SpinMatrix thePolFF(const WavevectorInfo& wavevectors) const = 0;
//! Returns the (approximate in some cases) radial size of the particle of this
//! form factor's shape. This is used for SSCA calculations
virtual double radialExtension() const = 0;
virtual Span zSpan() const = 0;
const std::optional<size_t>& i_layer() const { return m_i_layer; }
size_t i_layer_or_0() const { return m_i_layer ? m_i_layer.value() : 0; }
void setLayerIndex(size_t i) { m_i_layer = i; }
//! Returns the coherent sum of the DWBA terms for scalar scattering.
complex_t coherentFF(const std::vector<ScalarTerm>& components, const R3& shift) const;
//! Returns the DWBA terms for scalar scattering.
std::vector<ScalarTerm> calcCoherentComponents(const DiffuseElement& ele) const;
//! Returns the coherent sum of the DWBA terms for polarized scattering.
SpinMatrix coherentPolFF(const std::vector<PolarizedTerm>& components, const R3& shift) const;
//! Returns the DWBA terms for polarized scattering.
std::vector<PolarizedTerm> calcCoherentPolComponents(const DiffuseElement& ele) const;
OneAdmixture admixed() const;
double admixedFraction() const { return m_admixed_fraction; }
void setAdmixedFraction(double fraction);
void setAdmixedMaterial(const Material& material);
//! Checks 'equality' of processed particles for the purpose of FF computation.
virtual bool consideredEqualTo(const IReParticle& ire) const;
//! Returns a parameter understood as 'position' for different particle types.
virtual const R3* position() const = 0;
//! Util to compare particle positions.
static R3 posDiff(const R3* a, const R3* b);
//! Returns phase factor due to particle position.
static complex_t phaseFactor(const WavevectorInfo& wavevectors, const R3* position);
private:
std::optional<size_t> m_i_layer;
std::unique_ptr<Material> m_admixed_material;
double m_admixed_fraction = 0;
};
#endif // BORNAGAIN_RESAMPLE_PARTICLE_IREPARTICLE_H
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