From 9c3d9caa7b6fd066c53abf5773a05a83b30d3688 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 2 Feb 2010 15:04:41 +0100 Subject: Match the unit cell to a model cell after indexing --- src/index.c | 9 +++++++++ 1 file changed, 9 insertions(+) (limited to 'src/index.c') diff --git a/src/index.c b/src/index.c index b3c0b7e7..a20ad3a5 100644 --- a/src/index.c +++ b/src/index.c @@ -96,7 +96,16 @@ void index_pattern(struct image *image, int no_index, int use_dirax) } if ( use_dirax ) { + + UnitCell *new_cell; + run_dirax(image, no_index); + + new_cell = match_cell(image->indexed_cell, + image->molecule->cell); + + if ( new_cell != NULL ) image->indexed_cell = new_cell; + return; } } -- cgit v1.2.3