Lattice2D.h

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/Lattice/Lattice2D.h
//! @brief     Defines classes of Lattice2D family.
//!
//! @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_LATTICE_LATTICE2D_H
#define BORNAGAIN_SAMPLE_LATTICE_LATTICE2D_H
 
#include "Base/Types/ICloneable.h"
#include "Param/Node/INode.h"
 
//! A two-dimensional Bravais lattice.
 
class Lattice2D : public ICloneable, public INode {
public:
    Lattice2D(const std::vector<double>& PValues);
    explicit Lattice2D(double xi);
    Lattice2D* clone() const override = 0;
 
    struct ReciprocalBases {
        double m_asx, m_asy; //!< x,y coordinates of a*
        double m_bsx, m_bsy; //!< x,y coordinates of b*
    };
 
    virtual double length1() const = 0;
    virtual double length2() const = 0;
    virtual double latticeAngle() const = 0;
    virtual double unitCellArea() const = 0;
 
    double rotationAngle() const { return m_xi; }
 
    ReciprocalBases reciprocalBases() const;
 
    void setRotationEnabled(bool enabled);
 
protected:
    double m_xi;
};
 
//! A two-dimensional Bravais lattice with no special symmetry.
 
class BasicLattice2D : public Lattice2D {
public:
    BasicLattice2D(double length1, double length2, double angle, double xi);
 
    BasicLattice2D* clone() const override;
    std::string className() const final { return "BasicLattice2D"; }
    std::vector<ParaMeta> parDefs() const final
    {
        return {{"Length1", "nm", "lattice constant 1", 0, +INF, 0},
                {"Length2", "nm", "lattice constant 2", 0, +INF, 0},
                {"Alpha", "rad", "angle between lattice vectors 1 and 2", -INF, +INF, 0}};
    }
 
    double length1() const override { return m_length1; }
    double length2() const override { return m_length2; }
    double latticeAngle() const override { return m_angle; }
    double unitCellArea() const override;
 
private:
    double m_length1, m_length2;
    double m_angle;
};
 
//! A two-dimensional Bravais lattice with square unit cell.
 
class SquareLattice2D : public Lattice2D {
public:
    SquareLattice2D(double length, double xi = 0.0);
 
    SquareLattice2D* clone() const override;
    std::string className() const final { return "SquareLattice2D"; }
    std::vector<ParaMeta> parDefs() const final
    {
        return {{"Length", "nm", "lattice constant", 0, +INF, 0}};
    }
 
    double length1() const override { return m_length; }
    double length2() const override { return m_length; }
    double latticeAngle() const override;
    double unitCellArea() const override;
 
private:
    double m_length;
};
 
//! A two-dimensional Bravais lattice with hexagonal symmetry.
 
class HexagonalLattice2D : public Lattice2D {
public:
    HexagonalLattice2D(double length, double xi);
 
    HexagonalLattice2D* clone() const override;
    std::string className() const final { return "HexagonalLattice2D"; }
    std::vector<ParaMeta> parDefs() const final
    {
        return {{"Length", "nm", "lattice constant", 0, +INF, 0},
                {"Xi", "rad", "angle between x axis and lattice vector", -INF, +INF, 0}};
    }
 
    double length1() const override { return m_length; }
    double length2() const override { return m_length; }
    double latticeAngle() const override;
    double unitCellArea() const override;
 
private:
    double m_length;
};
 
#endif // BORNAGAIN_SAMPLE_LATTICE_LATTICE2D_H