diff options
| author | Cornelius Gati <cgati@cfelsgi.desy.de> | 2013-02-19 16:21:26 +0100 |
|---|---|---|
| committer | Cornelius Gati <cgati@cfelsgi.desy.de> | 2013-02-19 16:21:26 +0100 |
| commit | 1d429a4fa72e1426d661d6281e5f869cc0bd1f08 (patch) | |
| tree | 810a2c9810f1c9f993be9fe0aaf10ece3fe64fd6 /libcrystfel | |
| parent | 6da7b7f8aff35afddaaf075a7009345cc0544673 (diff) | |
XDS.INP fixed space group number
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/xds.c | 16 |
1 files changed, 8 insertions, 8 deletions
diff --git a/libcrystfel/src/xds.c b/libcrystfel/src/xds.c index e749eef6..48ea9351 100644 --- a/libcrystfel/src/xds.c +++ b/libcrystfel/src/xds.c @@ -400,7 +400,7 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_MONOCLINIC : - if ( centering != 'P' ) { + if ( centering == 'P' ) { g = "3"; } else { g = "5"; @@ -408,11 +408,11 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_ORTHORHOMBIC : - if ( centering != 'P' ) { + if ( centering == 'P' ) { g = "16"; - } else if ( centering != 'C' ) { + } else if ( centering == 'C' ) { g = "20"; - } else if ( centering != 'F' ) { + } else if ( centering == 'F' ) { g = "22"; } else { g = "23"; @@ -420,7 +420,7 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_TETRAGONAL : - if ( centering != 'P' ) { + if ( centering == 'P' ) { g = "75"; } else { g = "79"; @@ -428,7 +428,7 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_RHOMBOHEDRAL : - if ( centering != 'P' ) { + if ( centering == 'P' ) { g = "143"; } else { g = "146"; @@ -440,9 +440,9 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_CUBIC : - if ( centering != 'P' ) { + if ( centering == 'P' ) { g = "195"; - } else if ( centering != 'F' ) { + } else if ( centering == 'F' ) { g = "196"; } else { g = "197"; |