ILatticeOrientation.h

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// ************************************************************************** //
//
//  BornAgain: simulate and fit scattering at grazing incidence
//
//! @file      Sample/Lattice/ILatticeOrientation.h
//! @brief     Defines interface ILatticeOrientation 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_CORE_LATTICE_ILATTICEORIENTATION_H
#define BORNAGAIN_CORE_LATTICE_ILATTICEORIENTATION_H
 
#include "Base/Vector/Transform3D.h"
#include "Sample/Lattice/Lattice.h"
 
class ILatticeOrientation
{
public:
    virtual ~ILatticeOrientation();
 
    virtual ILatticeOrientation* clone() const = 0;
 
    virtual void usePrimitiveLattice(const Lattice& lattice) = 0;
 
    virtual Transform3D transformationMatrix() const = 0;
};
 
//! A direction in reciprocal space, specified by double-valued indices hkl.
struct MillerIndex {
    MillerIndex(double h_, double k_, double l_);
    double h, k, l;
};
 
//! Specifies a rotation of a lattice through the Miller indices of two coordinate axes.
 
class MillerIndexOrientation : public ILatticeOrientation
{
public:
    enum QComponent { QX, QY, QZ };
 
    //! This constructor is best explained by an example.
    //! Arguments QX, (1,1,0), QY, (0,2,1) mean:
    //! Rotate the lattice such that the axis [110] points into x direction,
    //! and the axis [021], projected into the yz plane, points into z direction.
    MillerIndexOrientation(QComponent q1, MillerIndex index1, QComponent q2, MillerIndex index2);
    ~MillerIndexOrientation() override;
 
    MillerIndexOrientation* clone() const override;
 
    void usePrimitiveLattice(const Lattice& lattice) override;
 
    Transform3D transformationMatrix() const override;
 
private:
    bool checkAlignment() const;
    Lattice m_prim_lattice;
    QComponent m_q1, m_q2;
    MillerIndex m_ind1, m_ind2;
};
 
#endif // BORNAGAIN_CORE_LATTICE_ILATTICEORIENTATION_H