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authorThomas White <taw@physics.org>2012-03-05 17:18:30 +0100
committerThomas White <taw@physics.org>2012-03-05 17:20:03 +0100
commit7de85e897dbb65a43f7548a1464ce3eab7214bc5 (patch)
treef6c63aed0007ef0b77c22ab3935f9319e13235e0 /src/process_hkl.c
parentb965a24d0f0f26f0f2d72135ab7ddfcd1a5f4442 (diff)
process_hkl: Remove PDB input, also not used for anything useful
Diffstat (limited to 'src/process_hkl.c')
-rw-r--r--src/process_hkl.c17
1 files changed, 1 insertions, 16 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c
index beb97ce7..00e9e56c 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -55,7 +55,6 @@ static void show_help(const char *s)
" -i, --input=<filename> Specify input filename (\"-\" for stdin).\n"
" -o, --output=<filename> Specify output filename for merged intensities\n"
" Default: processed.hkl).\n"
-" -p, --pdb=<filename> PDB file to use (default: molecule.pdb).\n"
"\n"
" --max-only Take the integrated intensity to be equal to the\n"
" maximum intensity measured for that reflection.\n"
@@ -426,7 +425,6 @@ int main(int argc, char *argv[])
char *output = NULL;
FILE *fh;
RefList *model;
- UnitCell *cell = NULL;
int config_maxonly = 0;
int config_startafter = 0;
int config_stopafter = 0;
@@ -457,7 +455,6 @@ int main(int argc, char *argv[])
{"sum", 0, &config_sum, 1},
{"scale", 0, &config_scale, 1},
{"symmetry", 1, NULL, 'y'},
- {"pdb", 1, NULL, 'p'},
{"histogram", 1, NULL, 'g'},
{"hist-parameters", 1, NULL, 'z'},
{0, 0, NULL, 0}
@@ -522,17 +519,6 @@ int main(int argc, char *argv[])
output = strdup("processed.hkl");
}
- if ( pdb != NULL ) {
- cell = load_cell_from_pdb(pdb);
- if ( cell == NULL ) {
- ERROR("Failed to load cell from '%s'\n", pdb);
- return 1;
- }
- free(pdb);
- } else {
- cell = NULL;
- }
-
if ( sym_str == NULL ) sym_str = strdup("1");
sym = get_pointgroup(sym_str);
free(sym_str);
@@ -633,14 +619,13 @@ int main(int argc, char *argv[])
hist_nbins);
}
- write_reflist(output, model, cell);
+ write_reflist(output, model, NULL);
fclose(fh);
free(sym);
reflist_free(model);
free(output);
- if ( cell != NULL ) cell_free(cell);
return 0;
}