Mercurial > repos > recetox > matchms_add_key
comparison matchms_split.py @ 19:d5a50ec6035d draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a57d984a9850c1faa44b6948981eb1303881ba9c
| author | recetox | 
|---|---|
| date | Thu, 14 Aug 2025 12:40:05 +0000 | 
| parents | 3c82adf06cd5 | 
| children | 
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| 18:081390a8e739 | 19:d5a50ec6035d | 
|---|---|
| 1 import argparse | 1 import argparse | 
| 2 import itertools | 2 import itertools | 
| 3 import os | 3 import os | 
| 4 | 4 | 
| 5 import matchms | 5 from matchms import Metadata | 
| 6 from matchms.exporting import save_as_msp | 6 from matchms.exporting import save_as_msp | 
| 7 from matchms.importing import load_from_msp | 7 from matchms.importing import load_from_msp | 
| 8 | 8 | 
| 9 | 9 Metadata.set_key_replacements({}) | 
| 10 matchms.Metadata.set_key_replacements({}) | |
| 11 | 10 | 
| 12 | 11 | 
| 13 def make_outdir(outdir: str): | 12 def make_outdir(outdir: str): | 
| 14 """Create destination directory. | 13 """Create destination directory. | 
| 15 | 14 | 
| 41 | 40 | 
| 42 listarg = argparse.ArgumentParser() | 41 listarg = argparse.ArgumentParser() | 
| 43 listarg.add_argument('--filename', type=str) | 42 listarg.add_argument('--filename', type=str) | 
| 44 listarg.add_argument('--method', type=str) | 43 listarg.add_argument('--method', type=str) | 
| 45 listarg.add_argument('--outdir', type=str) | 44 listarg.add_argument('--outdir', type=str) | 
| 46 listarg.add_argument('--parameter', type=int) | 45 listarg.add_argument('--parameter', type=int, required=False) | 
| 47 args = listarg.parse_args() | 46 args = listarg.parse_args() | 
| 48 outdir = args.outdir | 47 outdir = args.outdir | 
| 49 filename = args.filename | 48 filename = args.filename | 
| 50 method = args.method | 49 method = args.method | 
| 51 parameter = args.parameter | 50 parameter = args.parameter | 
