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comparison msp_merge.xml @ 0:c2862090e321 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
author recetox
date Thu, 19 May 2022 12:04:25 +0000
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1 <tool id="msp_merge" name="Merge MSP Spectra" version="0.1.0" python_template_version="3.5">
2 <creator>
3 <person
4 givenName="Wudmir"
5 familyName="Rojas"
6 url="https://github.com/wverastegui"
7 identifier="0000-0001-7036-9987" />
8 <person
9 givenName="Helge"
10 familyName="Hecht"
11 url="https://github.com/hechth"
12 identifier="0000-0001-6744-996X" />
13 <organization
14 url="https://www.recetox.muni.cz/"
15 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
16 name="RECETOX MUNI"/>
17 </creator>
18 <description>Merge MSP Spectra files</description>
19 <requirements>
20 <requirement type="package" version="0.14.0">matchms</requirement>
21 </requirements>
22 <command detect_errors="exit_code"><![CDATA[
23 #set newinput = str("' '").join([str($f) for $f in $files])
24 python3 $__tool_directory__/msp_merge.py
25 --filenames '$newinput'
26 --outfilename '$outfile'
27 ]]></command>
28 <inputs>
29 <param name="files" type="data" format="msp" multiple="true"/>
30 </inputs>
31 <outputs>
32 <data name="outfile" format="msp" />
33 </outputs>
34 <tests>
35 <test>
36 <param name="files" value="1-NITROPYRENE.msp,23-DICHLOROPHENOL.msp,24-DICHLOROPHENOL.msp" ftype="msp"/>
37 <output name="outfile" file="sample_output.msp" ftype="msp" />
38 </test>
39 </tests>
40 <help><![CDATA[
41 MSPmerge handles input/output files in MSP format using the matchms.importing and matchms.exporting modules (https://matchms.readthedocs.io/en/latest/index.html).
42 ]]></help>
43 </tool>