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authorThomas White <taw@physics.org>2010-06-22 18:28:16 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:50 +0100
commit3dfb25f06b3b58caf5a9b445d52a340fa2ab1afd (patch)
treec225628b0fc0e3cf6a374fd49632913d42b74d26 /src/cell.h
parent3a2152e5ea7980575d5a66b4c29e2e779d2c30cb (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.h14
1 files changed, 8 insertions, 6 deletions
diff --git a/src/cell.h b/src/cell.h
index 0310c04e..ab67a594 100644
--- a/src/cell.h
+++ b/src/cell.h
@@ -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);