--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/mzml_validator_wrapper.py	Fri Jan 20 12:42:11 2023 +0000
@@ -0,0 +1,48 @@
+#!/usr/bin/env python
+
+
+import argparse
+import logging
+import os
+import sys
+
+from lxml import etree
+
+XSD_FILENAMES = {'1.1.0': 'mzML1.1.0.xsd',
+                 '1.1.1': 'mzML1.1.1_idx.xsd'}
+
+
+def main(args):
+    parser = argparse.ArgumentParser(description='Validate mzML files')
+    parser.add_argument('--input_file', type=str, help='mzML file to validate')
+    parser.add_argument('--schemas_dir', type=str, help='Directory containing XML Schema Definitions')
+    parser.add_argument('--xsd_versions', type=lambda version: [v for v in version.split(',')], help='XSD versions to validate against')
+    parser.add_argument('--log_file', type=str, help='Path to log file')
+    args = parser.parse_args(args)
+
+    logging.basicConfig(level=logging.INFO, format='%(levelname)s: %(message)s', filename=args.log_file, filemode='w')
+
+    mzml = etree.parse(args.input_file)
+    validated = False
+
+    stderrs = set()
+    for version in args.xsd_versions:
+        xsd = etree.parse(os.path.join(args.schemas_dir, XSD_FILENAMES[version]))
+        schema = etree.XMLSchema(xsd)
+        if schema.validate(mzml):
+            validated = True
+            logging.info(f'Validated against mzML XML Schema Definition v{version}')
+        else:
+            stderrs.add(f'Failed to validate against mzML XML Schema Definition v{version}\n'
+                        f'xmllint error message(s):'
+                        f'{schema.error_log.last_error}\n')
+
+    if validated:
+        sys.exit(0)
+    else:
+        list((logging.error(e), sys.stderr.write(e)) for e in stderrs)
+        sys.exit(1)
+
+
+if __name__ == '__main__':
+    main(sys.argv[1:])