Mercurial > repos > recetox > msp_merge
view msp_merge.xml @ 1:d38d73004bba draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit b757d35278216a1f43bd53ea687a951b005e47df
author | recetox |
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date | Wed, 20 Mar 2024 12:28:31 +0000 |
parents | c2862090e321 |
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<tool id="msp_merge" name="Merge MSP Spectra" version="0.1.0" python_template_version="3.5"> <creator> <person givenName="Wudmir" familyName="Rojas" url="https://github.com/wverastegui" identifier="0000-0001-7036-9987" /> <person givenName="Helge" familyName="Hecht" url="https://github.com/hechth" identifier="0000-0001-6744-996X" /> <organization url="https://www.recetox.muni.cz/" email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" name="RECETOX MUNI"/> </creator> <description>Merge MSP Spectra files</description> <requirements> <requirement type="package" version="0.14.0">matchms</requirement> </requirements> <command detect_errors="exit_code"><![CDATA[ #set newinput = str("' '").join([str($f) for $f in $files]) python3 $__tool_directory__/msp_merge.py --filenames '$newinput' --outfilename '$outfile' ]]></command> <inputs> <param name="files" type="data" format="msp" multiple="true"/> </inputs> <outputs> <data name="outfile" format="msp" /> </outputs> <tests> <test> <param name="files" value="1-NITROPYRENE.msp,23-DICHLOROPHENOL.msp,24-DICHLOROPHENOL.msp" ftype="msp"/> <output name="outfile" file="sample_output.msp" ftype="msp" /> </test> </tests> <help><![CDATA[ MSPmerge handles input/output files in MSP format using the matchms.importing and matchms.exporting modules (https://matchms.readthedocs.io/en/latest/index.html). ]]></help> <citations> <citation type="doi">https://doi.org/10.5281/zenodo.6035335</citation> </citations> </tool>