rwsymop.h File Reference

Header file for reading and writing symmetry operators. More...

#include "symmetry.h"
#include "rwimg.h"
#include "View.h"

Functions
float *	read_symat (Bstring &filename, int spacegroup, int &nsym)
	Reading crystallographic symmetry operators. More...
char *	read_symop (Bstring &filename, int spacegroup, int &nsym)
	Reading crystallographic symmetry operators. More...
int	write_symat (Bstring &filename, int spacegroup)
	Writing crystallographic symmetry operators. More...
int	write_pointgroup (Bstring &filename, Bstring &symmetry_string, View ref_view)
	Writing point group symmetry operators. More...
int	write_pointgroup (Bstring &filename, Bsymmetry &sym, View ref_view)

Detailed Description

Header file for reading and writing symmetry operators.

Author

Bernard Heymann

Date

Created: 19990509

Modified: 20070621

Function Documentation

read_symat()

float * read_symat	(	Bstring &	filename,
		int	spacegroup,
		int &	nsym
	)

Reading crystallographic symmetry operators.

Parameters

&filename	file name.
spacegroup	crystal space group number.
&nsym	number of symmetry operators.

Returns

float* set of 12-value symmetry matrices.

The symmetry operators are encoded as a set of matrices.

read_symop()

char * read_symop	(	Bstring &	symopfile,
		int	spacegroup,
		int &	nsym
	)

Reading crystallographic symmetry operators.

Parameters

&symopfile	file name.
spacegroup	crystal space group number.
&nsym	number of symmetry operators.

Returns

char* set of 12-value symmetry matrices.

The symmetry operators are encoded as 80 character lines.

write_pointgroup() [1/2]

int write_pointgroup	(	Bstring &	filename,
		Bstring &	symmetry_string,
		View	ref_view
	)

Writing point group symmetry operators.

Parameters

&filename	file name.
&symmetry_string	symmetry string.
ref_view	reference view.

Returns

int error code (<0 means failure).

write_pointgroup() [2/2]

int write_pointgroup	(	Bstring &	filename,
		Bsymmetry &	sym,
		View	ref_view
	)

write_symat()

int write_symat	(	Bstring &	filename,
		int	spacegroup
	)

Writing crystallographic symmetry operators.

Parameters

&filename	file name.
spacegroup	crystal space group number.

Returns

int error code (<0 means failure).