diff options
| author | Thomas White <taw@physics.org> | 2021-10-20 14:28:47 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2021-10-20 14:28:47 +0200 |
| commit | d6982b711b365477a3e44d2e20044f770fb9010f (patch) | |
| tree | 7f5dd5b7e10efae8b93f18e5761d746e0fd0c37c /src | |
| parent | 0b46b5003af6c6c45da1ff2455680f612f27fa47 (diff) | |
Set crystal name in MTZ files
When using the GUI, it will be set to the corresponding indexing result
name.
Diffstat (limited to 'src')
| -rw-r--r-- | src/get_hkl.c | 3 | ||||
| -rw-r--r-- | src/gui_export.c | 9 |
2 files changed, 10 insertions, 2 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index fb0d04fc..e80383e5 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -915,7 +915,8 @@ int main(int argc, char *argv[]) ERROR("You must provide the MTZ output filename.\n"); r = 1; } else { - r = write_to_mtz(input, mero, cell, 0, INFINITY, output, "dataset"); + r = write_to_mtz(input, mero, cell, 0, INFINITY, output, + "dataset", "crystal", "project"); } } else if ( strcasecmp(output_format_str, "xds") == 0 ) { if ( output == NULL ) { 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); |