diff options
| -rw-r--r-- | libcrystfel/src/xds.c | 25 |
1 files changed, 13 insertions, 12 deletions
diff --git a/libcrystfel/src/xds.c b/libcrystfel/src/xds.c index 58a42657..2e8ac225 100644 --- a/libcrystfel/src/xds.c +++ b/libcrystfel/src/xds.c @@ -441,7 +441,6 @@ static const char *spacegroup_for_lattice(UnitCell *cell) LatticeType latt; char centering; char *g = NULL; - char *result; latt = cell_get_lattice_type(cell); centering = cell_get_centering(cell); @@ -453,9 +452,11 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_MONOCLINIC : - if ( centering != 'P' ) { + if ( centering != 'P' ) + { g = "3"; - } else { + } else + { g = "5"; } break; @@ -475,8 +476,11 @@ static const char *spacegroup_for_lattice(UnitCell *cell) case L_TETRAGONAL : if ( centering != 'P' ) { g = "75"; - } else { + } + else + { g = "79"; + } break; case L_RHOMBOHEDRAL : @@ -484,6 +488,7 @@ static const char *spacegroup_for_lattice(UnitCell *cell) g = "143"; } else { g = "146"; + } break; case L_HEXAGONAL : @@ -492,22 +497,18 @@ static const char *spacegroup_for_lattice(UnitCell *cell) case L_CUBIC : if ( centering != 'P' ) { - g = "195"; } + g = "195"; + } else if ( centering != 'F' ) { g = "196"; } else { g = "197"; } break; - } + } assert(g != NULL); - result = malloc(32); - if ( result == NULL ) return NULL; - - //snprintf(result, 31, "%c%s", centering, g); - - return result; + return g; } int run_xds(struct image *image, IndexingPrivate *priv) |