diff options
Diffstat (limited to 'src/cell.h')
| -rw-r--r-- | src/cell.h | 14 |
1 files changed, 8 insertions, 6 deletions
@@ -33,23 +33,25 @@ extern void cell_set_cartesian(UnitCell *cell, extern void cell_set_parameters(UnitCell *cell, double a, double b, double c, double alpha, double beta, double gamma); -extern void cell_get_parameters(UnitCell *cell, double *a, double *b, double *c, +extern void cell_set_cartesian_a(UnitCell *cell, double ax, double ay, double az); +extern void cell_set_cartesian_b(UnitCell *cell, double bx, double by, double bz); +extern void cell_set_cartesian_c(UnitCell *cell, double cx, double cy, double cz); + + +extern int cell_get_parameters(UnitCell *cell, double *a, double *b, double *c, double *alpha, double *beta, double *gamma); -extern void cell_get_cartesian(UnitCell *cell, +extern int cell_get_cartesian(UnitCell *cell, double *ax, double *ay, double *az, double *bx, double *by, double *bz, double *cx, double *cy, double *cz); -extern void cell_set_cartesian_a(UnitCell *cell, double ax, double ay, double az); -extern void cell_set_cartesian_b(UnitCell *cell, double bx, double by, double bz); -extern void cell_set_cartesian_c(UnitCell *cell, double cx, double cy, double cz); - extern int cell_get_reciprocal(UnitCell *cell, double *asx, double *asy, double *asz, double *bsx, double *bsy, double *bsz, double *csx, double *csy, double *csz); + extern double resolution(UnitCell *cell, signed int h, signed int k, signed int l); |