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authorThomas White <taw@physics.org>2012-10-02 17:36:58 +0200
committerThomas White <taw@physics.org>2012-10-02 17:36:58 +0200
commit5554266d7138e3af55d383e78a0184707c880d37 (patch)
tree180bf6a27e9bafa711bc310bd394cb820a2cd013 /libcrystfel/src
parent6633efd7a1931925bb6814dad0761f10d0a457b7 (diff)
Fix MOSFLM space groups
Diffstat (limited to 'libcrystfel/src')
-rw-r--r--libcrystfel/src/mosflm.c22
1 files changed, 11 insertions, 11 deletions
diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c
index 63166919..519056c2 100644
--- a/libcrystfel/src/mosflm.c
+++ b/libcrystfel/src/mosflm.c
@@ -293,10 +293,10 @@ static const char *spacegroup_for_lattice(UnitCell *cell)
break;
case L_MONOCLINIC :
- /* "2 1 1", "1 2 1" or "1 1 2" depending on unique axis */
- if ( ua == 'a' ) g = "2 1 1";
- if ( ua == 'b' ) g = "1 2 1";
- if ( ua == 'c' ) g = "1 1 2";
+ /* "211", "121" or "112" depending on unique axis */
+ if ( ua == 'a' ) g = "211";
+ if ( ua == 'b' ) g = "121";
+ if ( ua == 'c' ) g = "112";
break;
case L_ORTHORHOMBIC :
@@ -305,9 +305,9 @@ static const char *spacegroup_for_lattice(UnitCell *cell)
case L_TETRAGONAL :
/* "4 1 1", "1 4 1" or "1 1 4" depending on unique axis */
- if ( ua == 'a' ) g = "4 1 1";
- if ( ua == 'b' ) g = "1 4 1";
- if ( ua == 'c' ) g = "1 1 4";
+ if ( ua == 'a' ) g = "411";
+ if ( ua == 'b' ) g = "141";
+ if ( ua == 'c' ) g = "114";
break;
case L_RHOMBOHEDRAL :
@@ -316,13 +316,13 @@ static const char *spacegroup_for_lattice(UnitCell *cell)
case L_HEXAGONAL :
/* "6 1 1", "1 6 1" or "1 1 6" depending on unique axis */
- if ( ua == 'a' ) g = "6 1 1";
- if ( ua == 'b' ) g = "1 6 1";
- if ( ua == 'c' ) g = "6";
+ if ( ua == 'a' ) g = "611";
+ if ( ua == 'b' ) g = "161";
+ if ( ua == 'c' ) g = "611";
break;
case L_CUBIC :
- g = "2 3";
+ g = "23";
break;
}
assert(g != NULL);