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author | Thomas White <taw@physics.org> | 2011-03-16 18:23:48 +0100 |
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committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:20 +0100 |
commit | 86e621ad289638d7bf1440092cffd4c2ac64f982 (patch) | |
tree | 0abc051952d4d7d581bfe7b2d7403972ebd7327f /src/process_hkl.c | |
parent | eaee0f6415b06f40ff7f477328f9f26f01c4d7ec (diff) |
Remove old reflections.h
Diffstat (limited to 'src/process_hkl.c')
-rw-r--r-- | src/process_hkl.c | 9 |
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); |