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authorThomas White <taw@physics.org>2012-03-06 16:10:53 +0100
committerThomas White <taw@physics.org>2012-03-06 16:10:53 +0100
commitd21f2eb608431cd11b93aa96de3c792713829b44 (patch)
tree4cd0cf3c4e7efd52d58ecad38b1a1b35b92d4508 /src/get_hkl.c
parent3710defb709b7ab33ae7849873c4fb62de96e138 (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.c19
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);