Class Reciprocal¶

Defined in File lattice.hpp

Inheritance Relationships¶

Base Type¶

public brille::Lattice (Class Lattice)

Class Documentation¶

class brille::Reciprocal : public brille::Lattice ¶

A space-spanning Lattice that exists in reciprocal space.

The Reciprocal Lattice describes a space-spanning lattice in the reciprocal three dimensions of momentum. The class is a logical wrapper to the Lattice class and defines new versions of some methods.

Public Functions

template<class ...Types> Reciprocal(Types... args)¶

Reciprocal(const Lattice &lat)¶

Direct star() const¶: Return the inverse Direct lattice.

void get_B_matrix(double*) const¶: Return the Busing-Levey B matrix http://dx.doi.org/10.1107/S0365110X67000970.

void get_B_matrix(double*, const size_t, const size_t) const¶

template<class I> void get_B_matrix(double*, std::vector<I>&) const¶

void get_xyz_transform(double*) const¶: Return the basis vectors expressed in an orthonormal frame with a* along x.

void get_xyz_transform(double*, const size_t, const size_t) const¶

template<class I> void get_xyz_transform(double*, std::vector<I>&) const¶

std::vector<double> get_xyz_transform() const¶

void get_inverse_xyz_transform(double*) const¶: Return the inverse of the basis vectors expressed in an orthonormal frame where a* is along x.

void get_inverse_xyz_transform(double*, const size_t, const size_t) const¶

template<class I> void get_inverse_xyz_transform(double*, std::vector<I>&) const¶

std::vector<double> get_inverse_xyz_transform() const¶

void get_lattice_matrix(double*) const¶: Return the basis vectors expressed in an orthonormal frame with a along x.

void get_lattice_matrix(double*, const size_t, const size_t) const¶

template<class I> void get_lattice_matrix(double*, std::vector<I>&) const¶

bool isstar(const Reciprocal&) const¶: Always false.

bool isstar(const Direct&) const¶: Determine if a Direct lattice is the inverse of this lattice.

void print() override¶: Print the basis vector lengths and angles to the console.

std::string string_repr() override¶: Return a string representation of the basis vector lengths and angles.

Reciprocal primitive(void) const¶: For non-Primitive Reciprocal lattices, return the equivalent Primitive Reciprocal lattice.