Mercurial > repos > computational-metabolomics > sirius_csifingerid
diff sirius_csifingerid.py @ 4:8fb51147d15e draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit fdeefc696443bc3aadf08d4df7226cb6f91d0388"
author | computational-metabolomics |
---|---|
date | Fri, 04 Feb 2022 10:09:40 +0000 |
parents | 4cbfd3d0a4c4 |
children | 96b077221201 |
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--- a/sirius_csifingerid.py Wed Feb 02 17:29:46 2022 +0000 +++ b/sirius_csifingerid.py Fri Feb 04 10:09:40 2022 +0000 @@ -390,16 +390,18 @@ ad = paramds[fn.split(os.sep)[-2]]['additional_details'] for line in reader: - if 'rank' in line and \ - 0 < int(rank_filter) < int(line['rank']): + if 'rank' in line \ + and 0 < int(rank_filter) < int(line['rank']): # filter out those annotations greater than rank filter # If rank_filter is zero then skip continue - if 'ConfidenceScore' in line \ - and 0 < int(confidence_filter) < int(line['rank']): - # filter out those annotations greater than rank filter - # If rank_filter is zero then skip + if ('ConfidenceScore' in line + and 0 < float(confidence_filter) + and float(line['ConfidenceScore']) < + float(confidence_filter)): + # filter out those annotations that are less than + # the confidence filter value continue line.update(ad) @@ -414,13 +416,13 @@ os.system(s2) -concat_output('canopus_summary.tsv', - args.canopus_result_pth, +concat_output('compound_identifications.tsv', + args.annotations_result_pth, args.rank_filter, args.confidence_filter, args.backwards_compatible) -concat_output('compound_identifications.tsv', - args.annotations_result_pth, +concat_output('canopus_summary.tsv', + args.canopus_result_pth, 0, 0, False)