diff options
author | Thomas White <taw@physics.org> | 2012-03-06 16:10:53 +0100 |
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committer | Thomas White <taw@physics.org> | 2012-03-06 16:10:53 +0100 |
commit | d21f2eb608431cd11b93aa96de3c792713829b44 (patch) | |
tree | 4cd0cf3c4e7efd52d58ecad38b1a1b35b92d4508 /src/get_hkl.c | |
parent | 3710defb709b7ab33ae7849873c4fb62de96e138 (diff) |
Don't include 1/d in reflection lists, because it's pointless
Diffstat (limited to 'src/get_hkl.c')
-rw-r--r-- | src/get_hkl.c | 19 |
1 files changed, 1 insertions, 18 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index c1310418..905da569 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -77,8 +77,6 @@ static void show_help(const char *s) "\n" "Don't forget to specify the output filename:\n" " -o, --output=<filename> Output filename (default: stdout).\n" -" -p, --pdb=<filename> Use unit cell parameters from this PDB file to\n" -" generate resolution values in the output file.\n" ); } @@ -364,7 +362,6 @@ int main(int argc, char *argv[]) char *beamfile = NULL; struct beam_params *beam = NULL; RefList *input; - UnitCell *cell = NULL; /* Long options */ const struct option longopts[] = { @@ -379,7 +376,6 @@ int main(int argc, char *argv[]) {"intensities", 1, NULL, 'i'}, {"multiplicity", 0, &config_multi, 1}, {"beam", 1, NULL, 'b'}, - {"pdb", 1, NULL, 'p'}, {"trim-centrics", 0, &config_trimc, 1}, {0, 0, NULL, 0} }; @@ -421,14 +417,6 @@ int main(int argc, char *argv[]) beamfile = strdup(optarg); break; - case 'p' : - cell = load_cell_from_pdb(optarg); - if ( cell == NULL ) { - ERROR("Failed to get cell from '%s'\n", optarg); - return 1; - } - break; - case 0 : break; @@ -453,11 +441,6 @@ int main(int argc, char *argv[]) } } - if ( cell == NULL ) { - ERROR("You need to give a PDB file with the unit cell.\n"); - return 1; - } - if ( holo_str != NULL ) { holo = get_pointgroup(holo_str); free(holo_str); @@ -583,7 +566,7 @@ int main(int argc, char *argv[]) } - write_reflist(output, input, cell); + write_reflist(output, input); reflist_free(input); |