diff options
| author | Thomas White <taw@physics.org> | 2012-10-03 19:58:12 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-10-03 19:58:12 +0200 |
| commit | ea8b5a594ea35a10c9ada62ea79e71ddca940106 (patch) | |
| tree | 0811bfd099a779e3a07aa0b8380a6c7526ab7e00 /libcrystfel/src/mosflm.c | |
| parent | c8bb9940a50dff72e61727ae2578fb08aa3a824b (diff) | |
Fix MOSFLM space groups a (hopefully) final time
More woes resulting from "H centering"...
Diffstat (limited to 'libcrystfel/src/mosflm.c')
| -rw-r--r-- | libcrystfel/src/mosflm.c | 14 |
1 files changed, 10 insertions, 4 deletions
diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c index d9d83ae1..a58a7365 100644 --- a/libcrystfel/src/mosflm.c +++ b/libcrystfel/src/mosflm.c @@ -315,10 +315,16 @@ static const char *spacegroup_for_lattice(UnitCell *cell) break; case L_HEXAGONAL : - /* "611", "161" or "116" depending on unique axis */ - if ( ua == 'a' ) g = "611"; - if ( ua == 'b' ) g = "161"; - if ( ua == 'c' ) g = "611"; + if ( centering != 'H' ) { + /* "611", "161" or "116" depending on unique axis */ + if ( ua == 'a' ) g = "611"; + if ( ua == 'b' ) g = "161"; + if ( ua == 'c' ) g = "611"; + } else { + /* Note that there is no way to communicate any + * unique axis information in this case. */ + g = "32"; + } break; case L_CUBIC : |