static Centering get_transformation_matrix( double trans_mat[3][3],
SPGCONST Symmetry * symmetry )
{
int pg_num;
double correction_mat[3][3];
Centering centering;
Pointgroup pointgroup;
pg_num = ptg_get_pointgroup_number( symmetry );
pointgroup = ptg_get_pointgroup( pg_num );
ptg_get_transformation_matrix( &pointgroup, symmetry );
/* Centering is not determined only from symmetry operations */
/* sometimes. Therefore centering and transformation matrix are */
/* related. */
centering = lat_get_centering( correction_mat,
pointgroup.transform_mat,
pointgroup.laue );
mat_multiply_matrix_id3( trans_mat,
pointgroup.transform_mat,
correction_mat );
debug_print("correction matrix\n");
debug_print_matrix_d3( correction_mat );
return centering;
}
/* Return 0 if failed */
int spg_get_pointgroup(char symbol[6],
int transform_mat[3][3],
SPGCONST int rotations[][3][3],
const int num_rotations)
{
int tmp_transform_mat[3][3];
double correction_mat[3][3], transform_mat_double[3][3];
Pointgroup pointgroup;
pointgroup = ptg_get_transformation_matrix(tmp_transform_mat,
rotations,
num_rotations);
strcpy(symbol, pointgroup.symbol);
lat_get_centering(correction_mat,
tmp_transform_mat,
pointgroup.laue);
mat_multiply_matrix_id3(transform_mat_double,
tmp_transform_mat,
correction_mat);
mat_cast_matrix_3d_to_3i(transform_mat, transform_mat_double);
return pointgroup.number;
}
