diff options
| author | Thomas White <taw@physics.org> | 2012-10-02 17:36:58 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-10-02 17:36:58 +0200 |
| commit | 5554266d7138e3af55d383e78a0184707c880d37 (patch) | |
| tree | 180bf6a27e9bafa711bc310bd394cb820a2cd013 | |
| parent | 6633efd7a1931925bb6814dad0761f10d0a457b7 (diff) | |
Fix MOSFLM space groups
| -rw-r--r-- | libcrystfel/src/mosflm.c | 22 |
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); |