FormFactorCrystal.h

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/Particle/FormFactorCrystal.h
//! @brief     Defines class FormFactorCrystal.
//!
//! @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_PARTICLE_FORMFACTORCRYSTAL_H
#define BORNAGAIN_SAMPLE_PARTICLE_FORMFACTORCRYSTAL_H
 
#include "Sample/Lattice/Lattice3D.h"
#include "Sample/Scattering/IBornFF.h"
 
//! The form factor of a MesoCrystal.
//! @ingroup formfactors
 
class FormFactorCrystal : public IFormFactor {
public:
    FormFactorCrystal(const Lattice3D& lattice, const IFormFactor& basis_form_factor,
                      const IFormFactor& meso_form_factor, double position_variance = 0.0);
    ~FormFactorCrystal() override;
 
    FormFactorCrystal* clone() const override
    {
        return new FormFactorCrystal(m_lattice, *m_basis_form_factor, *m_meso_form_factor,
                                     m_position_variance);
    }
 
    void accept(INodeVisitor* visitor) const override { visitor->visit(this); }
 
    void setAmbientMaterial(const Material& material) override
    {
        m_basis_form_factor->setAmbientMaterial(material);
    }
 
    double volume() const override { return m_meso_form_factor->volume(); }
    double radialExtension() const override { return m_meso_form_factor->radialExtension(); }
 
    double bottomZ(const IRotation& rotation) const override;
 
    double topZ(const IRotation& rotation) const override;
 
    complex_t evaluate(const WavevectorInfo& wavevectors) const override;
#ifndef SWIG
    Eigen::Matrix2cd evaluatePol(const WavevectorInfo& wavevectors) const override;
#endif
 
private:
    void calculateLargestReciprocalDistance();
    complex_t debyeWallerFactor(const kvector_t& q_i) const;
 
    Lattice3D m_lattice;
    IFormFactor* m_basis_form_factor;
    IFormFactor* m_meso_form_factor; //!< The outer shape of this mesocrystal
    double m_position_variance;
    double m_max_rec_length;
};
 
#endif // BORNAGAIN_SAMPLE_PARTICLE_FORMFACTORCRYSTAL_H