Mercurial > repos > galaxyp > openms_idrtcalibration
diff IDRTCalibration.xml @ 10:8bd1fe67a9b1 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 020906fb54bde7fc143c356f41975c378a741315"
author | galaxyp |
---|---|
date | Wed, 09 Sep 2020 12:48:03 +0000 |
parents | cb8dd15e2a51 |
children | 28805cf9b024 |
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--- a/IDRTCalibration.xml Fri May 17 10:02:11 2019 -0400 +++ b/IDRTCalibration.xml Wed Sep 09 12:48:03 2020 +0000 @@ -1,56 +1,74 @@ <?xml version='1.0' encoding='UTF-8'?> <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.--> <!--Proposed Tool Section: [ID Processing]--> -<tool id="IDRTCalibration" name="IDRTCalibration" version="2.3.0"> +<tool id="IDRTCalibration" name="IDRTCalibration" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05"> <description>Can be used to calibrate RTs of peptide hits linearly to standards.</description> <macros> <token name="@EXECUTABLE@">IDRTCalibration</token> <import>macros.xml</import> + <import>macros_autotest.xml</import> + <import>macros_test.xml</import> </macros> - <expand macro="references"/> + <expand macro="requirements"/> <expand macro="stdio"/> - <expand macro="requirements"/> - <command detect_errors="aggressive"><![CDATA[IDRTCalibration + <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@ +@EXT_FOO@ +#import re + +## Preprocessing +mkdir in && +ln -s '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' && +mkdir out && + +## Main program call + +set -o pipefail && +@EXECUTABLE@ -write_ctd ./ && +python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' && +@EXECUTABLE@ -ini @EXECUTABLE@.ctd +-in +'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' +-out +'out/output.${gxy2omsext("idxml")}' -#if $param_in: - -in $param_in -#end if -#if $param_out: - -out $param_out -#end if -#if $param_calibrant_1_reference: - -calibrant_1_reference $param_calibrant_1_reference -#end if -#if $param_calibrant_2_reference: - -calibrant_2_reference $param_calibrant_2_reference -#end if -#if $param_calibrant_1_input: - -calibrant_1_input $param_calibrant_1_input -#end if -#if $param_calibrant_2_input: - -calibrant_2_input $param_calibrant_2_input -#end if -#if $adv_opts.adv_opts_selector=='advanced': - #if $adv_opts.param_force: - -force -#end if -#end if -]]></command> +## Postprocessing +&& mv 'out/output.${gxy2omsext("idxml")}' '$out' +#if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS + && mv '@EXECUTABLE@.ctd' '$ctd_out' +#end if]]></command> + <configfiles> + <inputs name="args_json" data_style="paths"/> + <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> + </configfiles> <inputs> - <param name="param_in" type="data" format="idxml" optional="False" label="input file" help="(-in) "/> - <param name="param_calibrant_1_reference" type="float" value="0.1" label="The RT of the first calibrant in the reference file" help="(-calibrant_1_reference) "/> - <param name="param_calibrant_2_reference" type="float" value="0.9" label="The RT of the second calibrant in the reference file" help="(-calibrant_2_reference) "/> - <param name="param_calibrant_1_input" type="float" value="-1.0" label="The RT of the first calibrant in the input file" help="(-calibrant_1_input) Please note that this value needs to be set. The default value -1.0 is not allowed"/> - <param name="param_calibrant_2_input" type="float" value="-1.0" label="The RT of the second calibrant in the input file" help="(-calibrant_2_input) Please note that this value needs to be set. The default value -1.0 is not allowed"/> - <expand macro="advanced_options"> - <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + <param name="in" argument="-in" type="data" format="idxml" optional="false" label="input file" help=" select idxml data sets(s)"/> + <param name="calibrant_1_reference" argument="-calibrant_1_reference" type="float" optional="true" value="0.1" label="The RT of the first calibrant in the reference file" help=""/> + <param name="calibrant_2_reference" argument="-calibrant_2_reference" type="float" optional="true" value="0.9" label="The RT of the second calibrant in the reference file" help=""/> + <param name="calibrant_1_input" argument="-calibrant_1_input" type="float" optional="true" value="-1.0" label="The RT of the first calibrant in the input file" help="Please note that this value needs to be set. The default value -1.0 is not allowed"/> + <param name="calibrant_2_input" argument="-calibrant_2_input" type="float" optional="true" value="-1.0" label="The RT of the second calibrant in the input file" help="Please note that this value needs to be set. The default value -1.0 is not allowed"/> + <expand macro="adv_opts_macro"> + <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overwrite tool specific checks" help=""/> + <param name="test" argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> + <expand macro="list_string_san"/> + </param> </expand> + <param name="OPTIONAL_OUTPUTS" type="select" multiple="true" label="Optional outputs" optional="true"> + <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option> + </param> </inputs> <outputs> - <data name="param_out" format="idxml"/> + <data name="out" label="${tool.name} on ${on_string}: out" format="idxml"/> + <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> + <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> + </data> </outputs> - <help>Can be used to calibrate RTs of peptide hits linearly to standards. + <tests> + <expand macro="autotest_IDRTCalibration"/> + <expand macro="manutest_IDRTCalibration"/> + </tests> + <help><![CDATA[Can be used to calibrate RTs of peptide hits linearly to standards. -For more information, visit https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Documentation/release/2.3.0/html/TOPP_IDRTCalibration.html</help> +For more information, visit http://www.openms.de/documentation/TOPP_IDRTCalibration.html]]></help> + <expand macro="references"/> </tool>