1 files changed, 28 insertions, 0 deletions
diff --git a/util/validate-outputs.py b/util/validate-outputs.py
new file mode 100755
index 0000000..14e1ad1
--- /dev/null
+++ b/util/validate-outputs.py
@@ -0,0 +1,28 @@
+#!/usr/bin/python3
+
+"""Check the output of each example for validity against the PDBx
+   and ModelCIF dictionaries.
+
+   This should be periodically rechecked in case the PDBx and ModelCIF
+   dictionaries are updated.
+"""
+
+import sys
+import os
+import subprocess
+import ihm.dictionary
+import urllib.request
+
+with urllib.request.urlopen(
+        'https://mmcif.wwpdb.org/dictionaries/ascii/mmcif_ma.dic') as fh:
+    pdbx_mcif = ihm.dictionary.read(fh)
+
+for script in ('mkmodbase.py', 'ligands.py'):
+    print(script)
+    subprocess.check_call([sys.executable, '../examples/' + script])
+    with open('output.cif') as fh:
+        try:
+            pdbx_mcif.validate(fh)
+        except ihm.dictionary.ValidatorError as exc:
+            print(exc)
+os.unlink('output.cif')