diff mzml_id_getter.py @ 0:2810c956ec39 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_aplcms commit 506df2aef355b3791567283e1a175914f06b405a

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/mzml_id_getter.py	Mon Feb 13 10:26:41 2023 +0000
@@ -0,0 +1,23 @@
+#!/usr/bin/env python
+
+import argparse
+import sys
+
+from pymzml.run import Reader
+
+
+def main(argv):
+    parser = argparse.ArgumentParser(description='Get run ID from an mzML file.')
+    parser.add_argument('mzml_file', help='Path to an mzML file to get run ID from.')
+    args = parser.parse_args()
+
+    mzml = Reader(args.mzml_file)
+    id = mzml.info['run_id']
+
+    if id is not None:
+        with open("sample_name.txt", mode='x') as f:
+            f.write(id)
+
+
+if __name__ == '__main__':
+    main(sys.argv[1:])