From ea8b5a594ea35a10c9ada62ea79e71ddca940106 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 3 Oct 2012 19:58:12 +0200 Subject: Fix MOSFLM space groups a (hopefully) final time More woes resulting from "H centering"... --- libcrystfel/src/mosflm.c | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) (limited to 'libcrystfel') 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 : -- cgit v1.2.3