Mercurial > repos > recetox > matchms_subsetting

diff matchms_split.py @ 19:8f5a1e44b15c draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a57d984a9850c1faa44b6948981eb1303881ba9c
author recetox
date Thu, 14 Aug 2025 12:40:43 +0000
parents 4ef214cf07c1
children
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--- a/matchms_split.py	Mon Jun 30 13:05:31 2025 +0000
+++ b/matchms_split.py	Thu Aug 14 12:40:43 2025 +0000
@@ -2,12 +2,11 @@
 import itertools
 import os
 
-import matchms
+from matchms import Metadata
 from matchms.exporting import save_as_msp
 from matchms.importing import load_from_msp
 
-
-matchms.Metadata.set_key_replacements({})
+Metadata.set_key_replacements({})
 
 
 def make_outdir(outdir: str):
@@ -43,7 +42,7 @@
 listarg.add_argument('--filename', type=str)
 listarg.add_argument('--method', type=str)
 listarg.add_argument('--outdir', type=str)
-listarg.add_argument('--parameter', type=int)
+listarg.add_argument('--parameter', type=int, required=False)
 args = listarg.parse_args()
 outdir = args.outdir
 filename = args.filename