Mercurial > repos > recetox > msp_merge
diff msp_merge.xml @ 0:c2862090e321 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
author | recetox |
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date | Thu, 19 May 2022 12:04:25 +0000 |
parents | |
children | d38d73004bba |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/msp_merge.xml Thu May 19 12:04:25 2022 +0000 @@ -0,0 +1,43 @@ +<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> +</tool>