From d6982b711b365477a3e44d2e20044f770fb9010f Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 20 Oct 2021 14:28:47 +0200 Subject: Set crystal name in MTZ files When using the GUI, it will be set to the corresponding indexing result name. --- src/gui_export.c | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) (limited to 'src/gui_export.c') diff --git a/src/gui_export.c b/src/gui_export.c index 50bd126c..36f1a032 100644 --- a/src/gui_export.c +++ b/src/gui_export.c @@ -93,6 +93,7 @@ static int export_to_mtz(struct gui_merge_result *result, char *sym_str; SymOpList *sym; int r; + char *crystal_name; reflist = read_reflections_2(result->hkl, &sym_str); if ( reflist == NULL ) return 1; @@ -101,8 +102,14 @@ static int export_to_mtz(struct gui_merge_result *result, sym = get_pointgroup(sym_str); if ( sym == NULL ) return 1; + /* FIXME: Proposed labelling (GitLab #28): + * project = basename of folder containing crystfel.project */ + crystal_name = result->indexing_result_name; + if ( crystal_name == NULL ) { + crystal_name = "unknown"; + } r = write_to_mtz(reflist, sym, cell, min_res, max_res, filename, - result->name); + result->name, crystal_name, "project", bij); free_symoplist(sym); free(sym_str); -- cgit v1.2.3