Mercurial > repos > recetox > matchms_filtering
diff matchms_filtering.xml @ 5:a177ac3c752c draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author | recetox |
---|---|
date | Tue, 27 Jun 2023 14:25:01 +0000 |
parents | 1f2b13dbc0c8 |
children | 13de8005adba |
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--- a/matchms_filtering.xml Thu Apr 27 12:01:48 2023 +0000 +++ b/matchms_filtering.xml Tue Jun 27 14:25:01 2023 +0000 @@ -1,22 +1,30 @@ -<tool id="matchms_filtering" name="matchMS filtering" version="@TOOL_VERSION@+galaxy0"> +<tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy0" profile="21.09"> <description>filter and normalize mass spectrometry data</description> + <macros> <import>macros.xml</import> + <import>help.xml</import> </macros> + <expand macro="creator"/> + + <edam_operations> + <edam_operation>operation_3695</edam_operation> + </edam_operations> + <expand macro="bio.tools"/> + <requirements> <requirement type="package" version="@TOOL_VERSION@">matchms</requirement> - <requirement type="package" version="1.1.4">pandas</requirement> </requirements> + <command detect_errors="exit_code"><![CDATA[ + sh ${matchms_python_cli} + ]]> </command> + <environment_variables> <environment_variable name="MPLCONFIGDIR">\$_GALAXY_JOB_TMP_DIR</environment_variable> </environment_variables> - <command detect_errors="exit_code"><![CDATA[ - sh ${matchms_python_cli} - ]]> </command> - <configfiles> <configfile name="matchms_python_cli"> python3 ${__tool_directory__}/matchms_filtering_wrapper.py \ @@ -67,8 +75,8 @@ <param name="is_true" label="Filter relative intensity" type="boolean" truevalue="TRUE" falsevalue="FALSE" checked="false" help="Keep only peaks within set relative intensity range (keep if maximum >= intensity >= minimum)." /> <when value="TRUE"> - <param label="Minimum intensity" name="from_intensity" optional="true" type="float" help="Lower bound for intensity filter." /> - <param label="Maximum intensity" name="to_intensity" optional="true" type="float" help="Upper bound for intensity filter." /> + <param label="Minimum intensity" name="from_intensity" value="0" type="float" help="Lower bound for intensity filter." /> + <param label="Maximum intensity" name="to_intensity" value="1" type="float" help="Upper bound for intensity filter." /> </when> </conditional> @@ -129,23 +137,9 @@ </test> </tests> - <help><![CDATA[ - Documentation - For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst and https://matchms.readthedocs.io/en/latest/. - - Upstream Tools - +-----------+---------------+--------+-----------+ - | Name | Output File | Format | Parameter | - +===========+===============+========+===========+ - | RAMClustR | Mass spectra | msp | references| - +-----------+---------------+--------+-----------+ - | RAMClustR | Mass spectra | msp | queries | - +-----------+---------------+--------+-----------+ - - Downstream Tools - The output is an msp file after applying the specified filters. - ]]></help> - + <help> + @HELP_matchms@ + </help> <expand macro="citations"/> </tool>