Commit 1d59eab7 authored by Thomas White's avatar Thomas White
Browse files

Refuse to proceed without molecule.pdb

parent 212ed1d2
......@@ -87,6 +87,7 @@ int main(int argc, char *argv[])
int config_verbose = 0;
IndexingMethod indm;
char *indm_str = NULL;
struct image image;
/* Long options */
const struct option longopts[] = {
......@@ -163,20 +164,25 @@ int main(int argc, char *argv[])
return 1;
}
image.molecule = load_molecule();
if ( image.molecule == NULL ) {
ERROR("You must provide molecule.pdb in the working "
"directory.\n");
return 1;
}
n_images = 0;
n_hits = 0;
do {
char line[1024];
struct hdfile *hdfile;
struct image image;
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
chomp(line);
image.features = NULL;
image.molecule = load_molecule();
image.data = NULL;
image.indexed_cell = NULL;
......
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