Commit 7de85e89 authored by Thomas White's avatar Thomas White
Browse files

process_hkl: Remove PDB input, also not used for anything useful

parent b965a24d
...@@ -55,7 +55,6 @@ static void show_help(const char *s) ...@@ -55,7 +55,6 @@ static void show_help(const char *s)
" -i, --input=<filename> Specify input filename (\"-\" for stdin).\n" " -i, --input=<filename> Specify input filename (\"-\" for stdin).\n"
" -o, --output=<filename> Specify output filename for merged intensities\n" " -o, --output=<filename> Specify output filename for merged intensities\n"
" Default: processed.hkl).\n" " Default: processed.hkl).\n"
" -p, --pdb=<filename> PDB file to use (default: molecule.pdb).\n"
"\n" "\n"
" --max-only Take the integrated intensity to be equal to the\n" " --max-only Take the integrated intensity to be equal to the\n"
" maximum intensity measured for that reflection.\n" " maximum intensity measured for that reflection.\n"
...@@ -426,7 +425,6 @@ int main(int argc, char *argv[]) ...@@ -426,7 +425,6 @@ int main(int argc, char *argv[])
char *output = NULL; char *output = NULL;
FILE *fh; FILE *fh;
RefList *model; RefList *model;
UnitCell *cell = NULL;
int config_maxonly = 0; int config_maxonly = 0;
int config_startafter = 0; int config_startafter = 0;
int config_stopafter = 0; int config_stopafter = 0;
...@@ -457,7 +455,6 @@ int main(int argc, char *argv[]) ...@@ -457,7 +455,6 @@ int main(int argc, char *argv[])
{"sum", 0, &config_sum, 1}, {"sum", 0, &config_sum, 1},
{"scale", 0, &config_scale, 1}, {"scale", 0, &config_scale, 1},
{"symmetry", 1, NULL, 'y'}, {"symmetry", 1, NULL, 'y'},
{"pdb", 1, NULL, 'p'},
{"histogram", 1, NULL, 'g'}, {"histogram", 1, NULL, 'g'},
{"hist-parameters", 1, NULL, 'z'}, {"hist-parameters", 1, NULL, 'z'},
{0, 0, NULL, 0} {0, 0, NULL, 0}
...@@ -522,17 +519,6 @@ int main(int argc, char *argv[]) ...@@ -522,17 +519,6 @@ int main(int argc, char *argv[])
output = strdup("processed.hkl"); 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"); if ( sym_str == NULL ) sym_str = strdup("1");
sym = get_pointgroup(sym_str); sym = get_pointgroup(sym_str);
free(sym_str); free(sym_str);
...@@ -633,14 +619,13 @@ int main(int argc, char *argv[]) ...@@ -633,14 +619,13 @@ int main(int argc, char *argv[])
hist_nbins); hist_nbins);
} }
write_reflist(output, model, cell); write_reflist(output, model, NULL);
fclose(fh); fclose(fh);
free(sym); free(sym);
reflist_free(model); reflist_free(model);
free(output); free(output);
if ( cell != NULL ) cell_free(cell);
return 0; return 0;
} }
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