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authorThomas White <taw@physics.org>2012-08-07 18:20:57 +0200
committerThomas White <taw@physics.org>2012-10-02 15:02:12 +0200
commit49e99dd17d003df568ef676a2c5b66ed82193dc7 (patch)
treed3263935e4bb80eec869c3dbce5a5778f9f7f7b5 /libcrystfel/src
parentae3a6a04282ffaeaa010edbff1850a522d255054 (diff)
Remove space group from unit cell
Diffstat (limited to 'libcrystfel/src')
-rw-r--r--libcrystfel/src/cell.c17
-rw-r--r--libcrystfel/src/cell.h3
2 files changed, 0 insertions, 20 deletions
diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c
index 64bcd3f4..37e201e3 100644
--- a/libcrystfel/src/cell.c
+++ b/libcrystfel/src/cell.c
@@ -89,7 +89,6 @@ struct _unitcell {
double azs; double bzs; double czs;
char *pointgroup;
- char *spacegroup;
LatticeType lattice_type;
char centering;
char unique_axis;
@@ -124,7 +123,6 @@ UnitCell *cell_new()
cell->rep = CELL_REP_CRYST;
cell->pointgroup = strdup("1");
- cell->spacegroup = strdup("P 1");
cell->lattice_type = L_TRICLINIC;
cell->centering = 'P';
cell->unique_axis = 'c';
@@ -144,7 +142,6 @@ void cell_free(UnitCell *cell)
{
if ( cell == NULL ) return;
free(cell->pointgroup);
- free(cell->spacegroup);
free(cell);
}
@@ -263,7 +260,6 @@ UnitCell *cell_new_from_cell(UnitCell *orig)
cell_get_cartesian(orig, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz);
cell_set_cartesian(new, ax, ay, az, bx, by, bz, cx, cy, cz);
cell_set_pointgroup(new, orig->pointgroup);
- cell_set_spacegroup(new, orig->spacegroup);
return new;
}
@@ -284,13 +280,6 @@ void cell_set_reciprocal(UnitCell *cell,
}
-void cell_set_spacegroup(UnitCell *cell, const char *sym)
-{
- free(cell->spacegroup);
- cell->spacegroup = strdup(sym);
-}
-
-
void cell_set_pointgroup(UnitCell *cell, const char *sym)
{
free(cell->pointgroup);
@@ -575,12 +564,6 @@ const char *cell_get_pointgroup(UnitCell *cell)
}
-const char *cell_get_spacegroup(UnitCell *cell)
-{
- return cell->spacegroup;
-}
-
-
char cell_get_centering(UnitCell *cell)
{
return cell->centering;
diff --git a/libcrystfel/src/cell.h b/libcrystfel/src/cell.h
index e4e9d6ce..4e90a8ad 100644
--- a/libcrystfel/src/cell.h
+++ b/libcrystfel/src/cell.h
@@ -93,7 +93,6 @@ extern void cell_set_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 void cell_set_spacegroup(UnitCell *cell, const char *sym);
extern void cell_set_pointgroup(UnitCell *cell, const char *sym);
@@ -117,8 +116,6 @@ extern void cell_set_reciprocal(UnitCell *cell,
extern const char *cell_get_pointgroup(UnitCell *cell);
-extern const char *cell_get_spacegroup(UnitCell *cell);
-
extern LatticeType cell_get_lattice_type(UnitCell *cell);
extern void cell_set_lattice_type(UnitCell *cell, LatticeType lattice_type);