diff options
| author | Thomas White <taw@physics.org> | 2012-08-08 11:20:14 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-10-02 15:02:12 +0200 |
| commit | e67a04b7492806816f2c5ecbadd9814eb33068e1 (patch) | |
| tree | 7c546be27b2eed3a10138de40377aae0cb6fffb4 /libcrystfel/src/cell-utils.c | |
| parent | 49e99dd17d003df568ef676a2c5b66ed82193dc7 (diff) | |
WIP
Diffstat (limited to 'libcrystfel/src/cell-utils.c')
| -rw-r--r-- | libcrystfel/src/cell-utils.c | 5 |
1 files changed, 4 insertions, 1 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index c30d9a03..ca697391 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -378,7 +378,6 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose, } - UnitCell *match_cell_ab(UnitCell *cell, UnitCell *template) { double ax, ay, az; @@ -692,6 +691,10 @@ UnitCell *load_cell_from_pdb(const char *filename) fclose(fh); /* FIXME: Turn "H" centered cells into "R" cells */ + if ( cell_get_centering(cell) == 'H' ) { + STATUS("Turning your H-centered (PDB convention) cell into" + " an R-centered one.\n"); + } validate_cell(cell); |