Mercurial > repos > galaxyp > openms_proteinresolver
view ProteinResolver.xml @ 11:95f90fab5ce8 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 55a2aeba8bfd8a6910630721de9857dcdfe05d3c"
author | galaxyp |
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date | Tue, 13 Oct 2020 20:11:11 +0000 |
parents | 814d6f4706e3 |
children | 851f7c252d66 |
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<?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: [Quantitation]--> <tool id="ProteinResolver" name="ProteinResolver" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05"> <description>protein inference</description> <macros> <token name="@EXECUTABLE@">ProteinResolver</token> <import>macros.xml</import> <import>macros_autotest.xml</import> <import>macros_test.xml</import> </macros> <expand macro="requirements"/> <expand macro="stdio"/> <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@ @EXT_FOO@ #import re ## Preprocessing mkdir fasta && ln -s '$fasta' 'fasta/${re.sub("[^\w\-_]", "_", $fasta.element_identifier)}.$gxy2omsext($fasta.ext)' && #if $in: mkdir in && ${ ' '.join(["ln -s '%s' 'in/%s.%s' &&" % (_, re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _]) } #end if #if $design: mkdir design && ln -s '$design' 'design/${re.sub("[^\w\-_]", "_", $design.element_identifier)}.$gxy2omsext($design.ext)' && #end if #if "protein_groups_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir protein_groups && #end if #if "peptide_table_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir peptide_table && #end if #if "protein_table_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir protein_table && #end if #if "additional_info_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir additional_info && #end if ## Main program call set -o pipefail && @EXECUTABLE@ -write_ctd ./ && python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' && @EXECUTABLE@ -ini @EXECUTABLE@.ctd -fasta 'fasta/${re.sub("[^\w\-_]", "_", $fasta.element_identifier)}.$gxy2omsext($fasta.ext)' #if $in: -in ${' '.join(["'in/%s.%s'"%(re.sub('[^\w\-_]', '_', _.element_identifier), $gxy2omsext(_.ext)) for _ in $in if _])} #end if #if $design: -design 'design/${re.sub("[^\w\-_]", "_", $design.element_identifier)}.$gxy2omsext($design.ext)' #end if #if "protein_groups_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -protein_groups 'protein_groups/output.${gxy2omsext("csv")}' #end if #if "peptide_table_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -peptide_table 'peptide_table/output.${gxy2omsext("csv")}' #end if #if "protein_table_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -protein_table 'protein_table/output.${gxy2omsext("csv")}' #end if #if "additional_info_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -additional_info 'additional_info/output.${gxy2omsext("csv")}' #end if #if len(str($OPTIONAL_OUTPUTS).split(',')) == 0 | tee '$stdout' #end if ## Postprocessing #if "protein_groups_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'protein_groups/output.${gxy2omsext("csv")}' '$protein_groups' #end if #if "peptide_table_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'peptide_table/output.${gxy2omsext("csv")}' '$peptide_table' #end if #if "protein_table_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'protein_table/output.${gxy2omsext("csv")}' '$protein_table' #end if #if "additional_info_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'additional_info/output.${gxy2omsext("csv")}' '$additional_info' #end if #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="fasta" argument="-fasta" type="data" format="fasta" optional="false" label="Input database file" help=" select fasta data sets(s)"/> <param name="in" argument="-in" type="data" format="consensusxml,idxml" multiple="true" optional="true" label="Input file(s) holding experimental data" help=" select consensusxml,idxml data sets(s)"/> <param name="in_path" argument="-in_path" type="text" optional="true" value="" label="Path to idXMLs or consensusXMLs files" help="Ignored if 'in' is given"> <expand macro="list_string_san"/> </param> <param name="design" argument="-design" type="data" format="txt" optional="true" label="Text file containing the experimental design" help="See documentation for specific format requirements select txt data sets(s)"/> <section name="resolver" title="Additional options for algorithm" help="" expanded="false"> <param name="missed_cleavages" argument="-resolver:missed_cleavages" type="integer" optional="true" min="0" value="2" label="Number of allowed missed cleavages" help=""/> <param name="min_length" argument="-resolver:min_length" type="integer" optional="true" min="1" value="6" label="Minimum length of peptide" help=""/> <param name="enzyme" argument="-resolver:enzyme" display="radio" type="select" optional="false" label="Digestion enzyme" help=""> <option value="Trypsin" selected="true">Trypsin</option> <expand macro="list_string_san"/> </param> </section> <section name="designer" title="Additional options for quantitative experimental design" help="" expanded="false"> <param name="experiment" argument="-designer:experiment" type="text" optional="true" value="ExperimentalSetting" label="Identifier for the experimental design" help=""> <expand macro="list_string_san"/> </param> <param name="file" argument="-designer:file" type="text" optional="true" value="File" label="Identifier for the file name" help=""> <expand macro="list_string_san"/> </param> <param name="separator" argument="-designer:separator" display="radio" type="select" optional="false" label="Separator, which should be used to split a row into columns" help=""> <option value="tab" selected="true">tab</option> <option value="semi-colon">semi-colon</option> <option value="comma">comma</option> <option value="whitespace">whitespace</option> <expand macro="list_string_san"/> </param> </section> <expand macro="adv_opts_macro"> <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides 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" optional="true" multiple="true" label="Optional outputs"> <option value="protein_groups_FLAG">protein_groups (output file. Contains all protein groups)</option> <option value="peptide_table_FLAG">peptide_table (output file)</option> <option value="protein_table_FLAG">protein_table (output file. Contains one protein per line)</option> <option value="additional_info_FLAG">additional_info (output file for additional info)</option> <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option> </param> </inputs> <outputs> <data name="protein_groups" label="${tool.name} on ${on_string}: protein_groups" format="csv"> <filter>OPTIONAL_OUTPUTS is not None and "protein_groups_FLAG" in OPTIONAL_OUTPUTS</filter> </data> <data name="peptide_table" label="${tool.name} on ${on_string}: peptide_table" format="csv"> <filter>OPTIONAL_OUTPUTS is not None and "peptide_table_FLAG" in OPTIONAL_OUTPUTS</filter> </data> <data name="protein_table" label="${tool.name} on ${on_string}: protein_table" format="csv"> <filter>OPTIONAL_OUTPUTS is not None and "protein_table_FLAG" in OPTIONAL_OUTPUTS</filter> </data> <data name="additional_info" label="${tool.name} on ${on_string}: additional_info" format="csv"> <filter>OPTIONAL_OUTPUTS is not None and "additional_info_FLAG" in OPTIONAL_OUTPUTS</filter> </data> <data name="stdout" format="txt" label="${tool.name} on ${on_string}: stdout"> <filter>OPTIONAL_OUTPUTS is None</filter> </data> <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> </data> </outputs> <tests> <expand macro="autotest_ProteinResolver"/> <expand macro="manutest_ProteinResolver"/> </tests> <help><![CDATA[protein inference For more information, visit http://www.openms.de/doxygen/release/2.6.0/html/TOPP_ProteinResolver.html]]></help> <expand macro="references"/> </tool>