Mercurial > repos > recetox > msmetaenhancer
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 4b8a43b863ff8a0ff1d5a08e516068853adf358d
author | recetox |
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date | Tue, 16 Apr 2024 11:29:50 +0000 |
parents | 791bf4d9b06c |
children | b5467dead5b1 |
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<tool id="msmetaenhancer" name="MSMetaEnhancer" version="@TOOL_VERSION@+galaxy4" profile="21.09"> <description>annotate MS data</description> <macros> <import>macros.xml</import> </macros> <expand macro="creator"/> <xrefs> <xref type="bio.tools">msmetaenhancer</xref> </xrefs> <requirements> <requirement type="package" version="@TOOL_VERSION@">msmetaenhancer</requirement> </requirements> <command detect_errors="exit_code"><![CDATA[ sh ${msmetaenhancer_python_cli} ]]> </command> <environment_variables> <environment_variable name="MPLCONFIGDIR">\$_GALAXY_JOB_TMP_DIR</environment_variable> <environment_variable name="XDG_CACHE_HOME">\$_GALAXY_JOB_TMP_DIR</environment_variable> </environment_variables> <configfiles> <configfile name="msmetaenhancer_python_cli"> python3 ${__tool_directory__}/msmetaenhancer_wrapper.py \ --input_file "$input_file" \ --file_format "$input_file.ext" \ --output_file "$output_file" \ #if $options.logging.output_log == "TRUE": --log_file "$log_file" \ --log_level "$options.logging.log_level" \ #end if #if len($ordered_jobs) != 0: #set ordered_jobs = ",".join([str($job.ordered_jobs_select) for $job in $ordered_jobs]) + "," #else: #set ordered_jobs = "" #end if #if $jobs != 'None': #set random_jobs = str($jobs) #else: #set random_jobs = "" #end if #set all_jobs = str($ordered_jobs) + str($random_jobs) --jobs "$all_jobs" </configfile> </configfiles> <inputs> <param label="Input spectra dataset" name="input_file" type="data" format="msp,mgf,json,csv,tsv,xlsx" /> <repeat name="ordered_jobs" title="Ordered conversions"> <param name="ordered_jobs_select" type="select" label="Available conversions" multiple="false" optional="true"> <expand macro="job_options" /> </param> </repeat> <param name="jobs" type="select" label="Other conversions" multiple="true" optional="true"> <expand macro="job_options" /> </param> <section name="options" title="Options"> <conditional name="logging"> <param label="Save the log file" name="output_log" type="select" help="Preserve a log with details about the annotation process."> <option value="FALSE" selected="true">FALSE</option> <option value="TRUE">TRUE</option> </param> <when value="TRUE"> <param name="log_level" type="select" label="Log level" help="Severity of log messages present in the log file."> <option value="error">ERROR</option> <option value="warning">WARNING</option> <option value="info" selected="true">INFO</option> </param> </when> <when value="FALSE"></when> </conditional> </section> </inputs> <outputs> <data label="MSMetaEnhancer on ${on_string}" name="output_file" format="msp"> <change_format> <when input="input_file.ext" value="mgf" format="mgf" /> <when input="input_file.ext" value="json" format="json" /> <when input="input_file.ext" value="csv" format="tsv" /> <when input="input_file.ext" value="tsv" format="tsv" /> <when input="input_file.ext" value="xlsx" format="xlsx" /> </change_format> </data> <data label="Log of MSMetaEnhancer on ${on_string}" name="log_file" format="txt"> <filter>options['logging']['output_log']</filter> </data> </outputs> <tests> <test expect_num_outputs="2"> <param name="input_file" value="sample.msp" ftype="msp" /> <param name="jobs" value="compound_name inchi PubChem,inchi canonical_smiles PubChem"/> <output name="output_file" file="sample_out.msp" ftype="msp"/> </test> </tests> <help> <![CDATA[ @HELP@ ]]> </help> <citations> <citation type="doi">https://doi.org/10.21105/joss.04494</citation> </citations> </tool>