ReciprocalLatticeDirection.cpp

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/* This file is part of gbLAB.
 *
 * gbLAB is distributed without any warranty under the MIT License.
 */
 
 
#ifndef gbLAB_ReciprocalLatticeDirection_cpp_
#define gbLAB_ReciprocalLatticeDirection_cpp_
 
#include <LatticeModule.h>
 
namespace gbLAB
{
    template <int dim>
    ReciprocalLatticeDirection<dim>::ReciprocalLatticeDirection(const ReciprocalLatticeVector<dim>& v) :
    /* init */ ReciprocalLatticeVector<dim>(((v.squaredNorm()==0)? v : (v/abs(IntegerMath<IntScalarType>::gcd(v))).eval()),v.lattice)
    {
    }
 
    template <int dim>
    ReciprocalLatticeDirection<dim>::ReciprocalLatticeDirection(const VectorDimI& v,
                                                                const Lattice<dim>& lat) :
    /* base init */ ReciprocalLatticeVector<dim>(((v.squaredNorm()==0)? v : (v/IntegerMath<IntScalarType>::gcd(v)).eval()),lat)
    {
    }
 
    template<int dim>
    basic_ostream<char>& operator<<(basic_ostream<char>& s, const ReciprocalLatticeDirection<dim>& m)
    {
        return s<<m.reciprocalLatticeVector().transpose();
    }
 
    template <int dim>
    double ReciprocalLatticeDirection<dim>::planeSpacing() const
    {
        return 1.0 / cartesian().norm();
    }
 
    template <int dim>
    int ReciprocalLatticeDirection<dim>::stacking() const
    {
        RLLL rlll((*this).lattice.latticeBasis,0.75);
        auto structureMatrix= rlll.reducedBasis();
        auto U= rlll.unimodularMatrix();
 
        Lattice<dim> reducedLattice(structureMatrix);
        VectorDimI temp= U.transpose()*(*this);
        ReciprocalLatticeVector<dim> r(temp,reducedLattice);
        LatticeDirection<dim> vector(reducedLattice);
        vector = reducedLattice.latticeDirection(r.cartesian());
        return abs(vector.dot(r));
    }
 
    template struct ReciprocalLatticeDirection<1>;
    template basic_ostream<char>& operator<<(basic_ostream<char>& s, const ReciprocalLatticeDirection<1>& m);
    template struct ReciprocalLatticeDirection<2>;
    template basic_ostream<char>& operator<<(basic_ostream<char>& s, const ReciprocalLatticeDirection<2>& m);
    template struct ReciprocalLatticeDirection<3>;
    template basic_ostream<char>& operator<<(basic_ostream<char>& s, const ReciprocalLatticeDirection<3>& m);
    template struct ReciprocalLatticeDirection<4>;
    template basic_ostream<char>& operator<<(basic_ostream<char>& s, const ReciprocalLatticeDirection<4>& m);
    template struct ReciprocalLatticeDirection<5>;
    template basic_ostream<char>& operator<<(basic_ostream<char>& s, const ReciprocalLatticeDirection<5>& m);
 
} // end namespace
#endif