Class spacegroup

Defined in File symmetry.hpp

Inheritance Relationships

Base Type

public std::vector< transformation >

Class Documentation

class spacegroup : public std::vector<transformation>

class to encapsulate the list of transformations making up a spacegroup

Public Functions

inline spacegroup(const datablock &db): constructor using the information in the symmetry category in datablock db

inline spacegroup(std::string_view name): constructor using the spacegroup named name

inline spacegroup(std::string_view name, space_group_name type): constructor using the spacegroup named name assuming space_group_name type

spacegroup(int nr): constructor using the spacegroup number nr

inline int get_nr() const: Return the nr.

std::string get_name() const: Return the name.

point operator()(const point &pt, const cell &c, sym_op symop) const: perform a spacegroup operation on point pt using cell c and sym_op symop

point inverse(const point &pt, const cell &c, sym_op symop) const: perform an inverse spacegroup operation on point pt using cell c and sym_op symop