diff options
| author | Thomas White <taw@physics.org> | 2012-08-07 18:20:57 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-10-02 15:02:12 +0200 |
| commit | 49e99dd17d003df568ef676a2c5b66ed82193dc7 (patch) | |
| tree | d3263935e4bb80eec869c3dbce5a5778f9f7f7b5 /libcrystfel/src | |
| parent | ae3a6a04282ffaeaa010edbff1850a522d255054 (diff) | |
Remove space group from unit cell
Diffstat (limited to 'libcrystfel/src')
| -rw-r--r-- | libcrystfel/src/cell.c | 17 | ||||
| -rw-r--r-- | libcrystfel/src/cell.h | 3 |
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); |