From c85230a897b62f223951f7cc5693c6175e2d673d Mon Sep 17 00:00:00 2001 From: Richard Kirian Date: Tue, 7 Dec 2010 18:42:09 -0700 Subject: added spacegroup to cell info --- src/cell.h | 3 +++ 1 file changed, 3 insertions(+) (limited to 'src/cell.h') diff --git a/src/cell.h b/src/cell.h index 5a6bfda9..5e9facb0 100644 --- a/src/cell.h +++ b/src/cell.h @@ -72,6 +72,8 @@ extern void cell_set_reciprocal(UnitCell *cell, extern const char *cell_get_pointgroup(UnitCell *cell); +extern const char *cell_get_spacegroup(UnitCell *cell); + extern double resolution(UnitCell *cell, signed int h, signed int k, signed int l); @@ -84,4 +86,5 @@ extern UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose, extern UnitCell *load_cell_from_pdb(const char *filename); + #endif /* CELL_H */ -- cgit v1.2.3