Mercurial > repos > recetox > matchms

diff matchms_similarity_wrapper.py @ 14:8af3f0718510 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b974ff354fa375975050026482e1b6ded8005682
author recetox
date Thu, 08 Sep 2022 14:46:18 +0000
parents cfa8b66fb106
children 71f521a6ee27
line wrap: on
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--- a/matchms_similarity_wrapper.py	Fri Jul 22 16:46:28 2022 +0000
+++ b/matchms_similarity_wrapper.py	Thu Sep 08 14:46:18 2022 +0000
@@ -82,7 +82,7 @@
     if args.ri_tolerance is not None:
         print("RI filtering with tolerance ", args.ri_tolerance)
         ri_matches = calculate_scores(reference_spectra, queries_spectra, MetadataMatch("retention_index", "difference", args.ri_tolerance)).scores
-        scores.scores["score"] = np.where(ri_matches, scores.scores["score"], 0.0)
+        scores._scores["score"] = np.where(ri_matches, scores.scores["score"], 0.0)
 
     write_outputs(args, scores)
     return 0