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authorThomas White <taw@bitwiz.org.uk>2010-10-31 11:24:57 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:04 +0100
commit65467d47559f359c75045f31f8bfeac13d96e22f (patch)
tree1f031f258236c55c70cdea674ee2d979a4ee1625 /src/cell.c
parent35a89a55ac05c6f1ce7925bdf26d7346dc6d4a95 (diff)
Add P 43 21 2
Diffstat (limited to 'src/cell.c')
-rw-r--r--src/cell.c3
1 files changed, 2 insertions, 1 deletions
diff --git a/src/cell.c b/src/cell.c
index aaea6473..d12191a7 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -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);
}
}