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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/Particle/Crystal.h
//! @brief Defines class Crystal.
//!
//! @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_CRYSTAL_H
#define BORNAGAIN_SAMPLE_PARTICLE_CRYSTAL_H
#include "Sample/Scattering/ISampleNode.h"
#include <heinz/Vectors3D.h>
class IParticle;
class IRotation;
class Lattice3D;
//! A crystal structure, defined by a Bravais lattice, a basis, and a position variance.
//!
//! Computations are delegated to class ReMesocrystal.
//!
//! Used in Mesocrystal, where it is given an outer shape.
//!
class Crystal : public ISampleNode {
public:
Crystal(const IParticle& basis, const Lattice3D& lattice, double position_variance = 0);
~Crystal() override;
#ifndef SWIG
Crystal* clone() const override;
std::vector<const INode*> nodeChildren() const override;
#endif // SWIG
std::string className() const final { return "Crystal"; }
std::vector<ParaMeta> parDefs() const final { return {{"Variance", "nm?"}}; }
const IParticle* basis() const { return m_basis.get(); }
const Lattice3D* lattice() const { return m_lattice.get(); }
double position_variance() const { return m_position_variance; }
Crystal* transformed(const R3& translation, const IRotation* rotation) const;
std::string validate() const override { return ""; }
private:
Crystal(IParticle* basis, const Lattice3D& lattice, double position_variance = 0);
std::unique_ptr<IParticle> m_basis;
std::unique_ptr<Lattice3D> m_lattice;
const double m_position_variance;
};
#endif // BORNAGAIN_SAMPLE_PARTICLE_CRYSTAL_H
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