Bsymmetry Struct Reference

#include <symmetry.h>

Public Member Functions
	Bsymmetry ()
	Bsymmetry (Bstring sym)
	Symmetry constructor from a symmetry identifier. More...
void	point (int i)
int	point ()
int	point () const
void	space (int i)
int	space ()
void	label (Bstring &s)
Bstring &	label ()
int	order ()
int	operations ()
Bsymop &	operator[] (int i)
vector< Matrix3 >	matrices ()
void	transform (Matrix3 &mat)

Constructor & Destructor Documentation

Bsymmetry() [1/2]

Bsymmetry::Bsymmetry ( )

inline

Bsymmetry() [2/2]

Bsymmetry::Bsymmetry

(

Bstring

sym

)

Symmetry constructor from a symmetry identifier.

Parameters

sym

string containing point group identifier. The point group symmetries are identified by the following strings: C<n> cyclic point group of order n. D<n> dihedral point group of order n. T tetrahedral point group. O octahedral/cubic point group. I icosahedral/dodecahedral point group. H<r>,<a>,<d> helical symmetry with rise r, rise angle a and dyad d (1/2). For the higher symmetries the following adjustments are available: T-3 no three-fold operator. O-2 no two-fold operator. O-3 no three-fold operator. O-4 no four-fold operator. I-2 no two-fold operator. I-3 no three-fold operator. I-5 no five-fold operator. I90 90 degrees rotated around z-axis. I90-3 90 degrees rotated around z-axis and no three-fold operator. If the point group string is empty, the default is C1 (asymmetric).

Member Function Documentation

label() [1/2]

Bstring & Bsymmetry::label ( )

inline

label() [2/2]

void Bsymmetry::label ( Bstring &  s )

inline

matrices()

vector< Matrix3 > Bsymmetry::matrices ( )

inline

operations()

int Bsymmetry::operations ( )

inline

operator[]()

Bsymop & Bsymmetry::operator[] ( int  i )

inline

order()

int Bsymmetry::order ( )

inline

point() [1/3]

int Bsymmetry::point ( )

inline

point() [2/3]

int Bsymmetry::point ( ) const

inline

point() [3/3]

void Bsymmetry::point ( int  i )

inline

space() [1/2]

int Bsymmetry::space ( )

inline

space() [2/2]

void Bsymmetry::space ( int  i )

inline

transform()

void Bsymmetry::transform ( Matrix3 &  mat )

inline

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

• /Users/heymannb/b20/bsoft/include/symmetry.h
• /Users/heymannb/b20/bsoft/src/util/symmetry.cpp