diff options
| author | Thomas White <taw@physics.org> | 2014-09-19 16:07:24 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-09-19 16:23:39 +0200 |
| commit | 6a6cb3b4d7f15c234a79ff8421a0ae5c1a1dcb2a (patch) | |
| tree | 00f6e0da9a8d086af18b0b1f34433bc115c9f206 /src/indexamajig.c | |
| parent | 2c959daa7a46b99a10dd5a1998b62ccb8def97de (diff) | |
Introduce CrystFEL unit cell files
Diffstat (limited to 'src/indexamajig.c')
| -rw-r--r-- | src/indexamajig.c | 16 |
1 files changed, 8 insertions, 8 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 2ef98c2c..ff4b2243 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -93,8 +93,8 @@ static void show_help(const char *s) " -b, --beam=<file> Get beam parameters from file (provides nominal\n" " wavelength value if no per-shot value is found in\n" " the HDF5 files.\n" -" -p, --pdb=<file> PDB file from which to get the unit cell to match.\n" -" Default: 'molecule.pdb'.\n" +" -p, --pdb=<file> File (PDB or CrystFEL unit cell format) from which\n" +" to get the unit cell. Default: 'molecule.pdb'.\n" " --basename Remove the directory parts of the filenames.\n" " -x, --prefix=<p> Prefix filenames from input file with <p>.\n" " --peaks=<method> Use 'method' for finding peaks. Choose from:\n" @@ -187,7 +187,7 @@ int main(int argc, char *argv[]) IndexingMethod *indm; IndexingPrivate **ipriv; char *indm_str = NULL; - char *pdb = NULL; + char *cellfile = NULL; char *prefix = NULL; char *speaks = NULL; char *toler = NULL; @@ -327,7 +327,7 @@ int main(int argc, char *argv[]) break; case 'p' : - pdb = strdup(optarg); + cellfile = strdup(optarg); break; case 'x' : @@ -606,13 +606,13 @@ int main(int argc, char *argv[]) add_geom_beam_stuff_to_copy_hdf5(iargs.copyme, iargs.det, iargs.beam); - if ( pdb != NULL ) { - iargs.cell = load_cell_from_pdb(pdb); + if ( cellfile != NULL ) { + iargs.cell = load_cell_from_file(cellfile); if ( iargs.cell == NULL ) { - ERROR("Couldn't read unit cell (from %s)\n", pdb); + ERROR("Couldn't read unit cell (from %s)\n", cellfile); return 1; } - free(pdb); + free(cellfile); STATUS("This is what I understood your unit cell to be:\n"); cell_print(iargs.cell); } else { |