diff options
author | Thomas White <taw@bitwiz.org.uk> | 2010-10-31 11:24:57 +0100 |
---|---|---|
committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:04 +0100 |
commit | 65467d47559f359c75045f31f8bfeac13d96e22f (patch) | |
tree | 1f031f258236c55c70cdea674ee2d979a4ee1625 /src/cell.c | |
parent | 35a89a55ac05c6f1ce7925bdf26d7346dc6d4a95 (diff) |
Add P 43 21 2
Diffstat (limited to 'src/cell.c')
-rw-r--r-- | src/cell.c | 3 |
1 files changed, 2 insertions, 1 deletions
@@ -801,12 +801,13 @@ static void cell_set_pointgroup_from_pdb(UnitCell *cell, const char *sym) if ( strcmp(sym, "P 63") == 0 ) new = "6"; if ( strcmp(sym, "P 21 21 21") == 0 ) new = "222"; + if ( strcmp(sym, "P 43 21 2") == 0 ) new = "422"; if ( new != NULL ) { free(cell->pointgroup); cell->pointgroup = strdup(new); } else { - ERROR("Can't determine point group for space group %s\n", sym); + ERROR("Can't determine point group for '%s'\n", sym); } } |