CASM  1.1.0
A Clusters Approach to Statistical Mechanics
Public Member Functions | Public Attributes | Private Types | Private Member Functions | List of all members
CASM::SymInfo Struct Reference

#include <SymInfo.hh>

Detailed Description

Simple struct to be used as return type for SymOp::info().

Definition at line 26 of file SymInfo.hh.

Public Member Functions

 SymInfo (const SymOp &op, const xtal::Lattice &lat)
 

Public Attributes

symmetry_type op_type
 
xtal::Coordinate axis
 
double angle
 
xtal::Coordinate screw_glide_shift
 
xtal::Coordinate location
 A Cartesian coordinate that is invariant to the operation (if one exists) More...
 
bool time_reversal
 If time reversal symmetry. More...
 

Private Types

typedef SymOp::vector_type vector_type
 
typedef SymOp::matrix_type matrix_type
 

Private Member Functions

void _set (const vector_type &_axis, const vector_type &_screw_glide_shift, const vector_type &_location, const xtal::Lattice &lat)
 

Member Typedef Documentation

◆ matrix_type

typedef SymOp::matrix_type CASM::SymInfo::matrix_type
private

Definition at line 56 of file SymInfo.hh.

◆ vector_type

typedef SymOp::vector_type CASM::SymInfo::vector_type
private

Definition at line 55 of file SymInfo.hh.

Constructor & Destructor Documentation

◆ SymInfo()

CASM::SymInfo::SymInfo ( const SymOp &  op,
const xtal::Lattice &  lat 
)

Definition at line 8 of file SymInfo.cc.

Member Function Documentation

◆ _set()

void CASM::SymInfo::_set ( const vector_type &  _axis,
const vector_type &  _screw_glide_shift,
const vector_type &  _location,
const xtal::Lattice &  lat 
)
private

Definition at line 128 of file SymInfo.cc.

Member Data Documentation

◆ angle

double CASM::SymInfo::angle

Rotation angle, if operation S is rotation/screw operation If improper operation, rotation angle of inversion*S

Definition at line 42 of file SymInfo.hh.

◆ axis

xtal::Coordinate CASM::SymInfo::axis

Rotation axis if operation S is rotation/screw operation If improper operation, rotation axis of inversion*S (implying that axis is normal vector for a mirror plane) normalized to length 1 axis is zero if operation is identity or inversion

Definition at line 38 of file SymInfo.hh.

◆ location

xtal::Coordinate CASM::SymInfo::location

A Cartesian coordinate that is invariant to the operation (if one exists)

Definition at line 49 of file SymInfo.hh.

◆ op_type

symmetry_type CASM::SymInfo::op_type

One of: identity_op, mirror_op, glide_op, rotation_op, screw_op, inversion_op, rotoinversion_op, or invalid_op

Definition at line 31 of file SymInfo.hh.

◆ screw_glide_shift

xtal::Coordinate CASM::SymInfo::screw_glide_shift

Component of tau parallel to 'axis' (for rotation) or perpendicular to 'axis', for mirror operation

Definition at line 46 of file SymInfo.hh.

◆ time_reversal

bool CASM::SymInfo::time_reversal

If time reversal symmetry.

Definition at line 52 of file SymInfo.hh.

The documentation for this struct was generated from the following files: