Mercurial > repos > recetox > matchms_split

diff matchms_networking_wrapper.py @ 7:a7162e5281c1 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 13f4f7af12ec694a5f4ab7b3e52f46a4f67a245e
author recetox
date Sun, 19 Nov 2023 14:38:21 +0000
parents 0cf68b536cd1
children
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--- a/matchms_networking_wrapper.py	Thu Oct 19 15:27:34 2023 +0000
+++ b/matchms_networking_wrapper.py	Sun Nov 19 14:38:21 2023 +0000
@@ -27,8 +27,11 @@
                                 score_cutoff=args.score_cutoff,
                                 link_method=args.link_method,
                                 keep_unconnected_nodes=args.keep_unconnected_nodes)
+    score_name = next((s for s in scores.score_names if args.score_name in s and "score" in s), None)
+    if score_name is None:
+        raise ValueError(f"Could not find any score name containing '{args.score_name}'.")
 
-    network.create_network(scores, args.score_name)
+    network.create_network(scores, score_name)
     network.export_to_file(filename=args.output_filename, graph_format=args.graph_format)
 
     return 0