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authorThomas White <taw@physics.org>2011-03-16 18:23:48 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:20 +0100
commit86e621ad289638d7bf1440092cffd4c2ac64f982 (patch)
tree0abc051952d4d7d581bfe7b2d7403972ebd7327f /src/process_hkl.c
parenteaee0f6415b06f40ff7f477328f9f26f01c4d7ec (diff)
Remove old reflections.h
Diffstat (limited to 'src/process_hkl.c')
-rw-r--r--src/process_hkl.c9
1 files changed, 4 insertions, 5 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c
index 6ff40159..f5e705bd 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -468,11 +468,11 @@ int main(int argc, char *argv[])
output = strdup("processed.hkl");
}
- if ( pdb == NULL ) {
- pdb = strdup("molecule.pdb");
- }
-
cell = load_cell_from_pdb(pdb);
+ if ( cell == NULL ) {
+ ERROR("Failed to load cell from '%s'\n", pdb);
+ return 1;
+ }
free(pdb);
if ( sym == NULL ) sym = strdup("1");
@@ -537,7 +537,6 @@ int main(int argc, char *argv[])
write_reflist(output, model, cell);
- cell_free(cell);
fclose(fh);
free(sym);
reflist_free(model);