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authorCornelius Gati <cgati@cfelsgi.desy.de>2013-02-19 16:21:26 +0100
committerCornelius Gati <cgati@cfelsgi.desy.de>2013-02-19 16:21:26 +0100
commit1d429a4fa72e1426d661d6281e5f869cc0bd1f08 (patch)
tree810a2c9810f1c9f993be9fe0aaf10ece3fe64fd6 /libcrystfel/src
parent6da7b7f8aff35afddaaf075a7009345cc0544673 (diff)
XDS.INP fixed space group number
Diffstat (limited to 'libcrystfel/src')
-rw-r--r--libcrystfel/src/xds.c16
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";