diff options
author | Thomas White <taw@physics.org> | 2010-06-22 18:28:16 +0200 |
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committer | Thomas White <taw@physics.org> | 2012-02-22 15:26:50 +0100 |
commit | 3dfb25f06b3b58caf5a9b445d52a340fa2ab1afd (patch) | |
tree | c225628b0fc0e3cf6a374fd49632913d42b74d26 /src/cell.h | |
parent | 3a2152e5ea7980575d5a66b4c29e2e779d2c30cb (diff) |
Rework UnitCell so it doesn't lose the orientation of the unit cell
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); |