view track_rt_raw.xml @ 4:a8d243fcf676 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 9ea2ca0892fa55c21491c93afba790e8d9427e01-dirty

<tool id="track_rt_raw" name="track_rt_raw" version="0.0.9">
    <description>Track the raw retention time in the peak slot of XCMSset objects.
    </description>
    <macros>
        <import>macros.xml</import>
    </macros>
    
    <expand macro="requirements">
    </expand>


    <stdio>
        <exit_code range="1:" />
    </stdio>
    <command interpreter="Rscript"><![CDATA[
        track_rt_raw.R
            --xset_path=$xset
            --out_dir=.
            #if $extract_peaks:
                --extract_peaks
            #end if

    ]]></command>
    <inputs>

        <param type="data" name="xset" format="rdata.xcms.raw,rdata.xcms.group,rdata.xcms.fillpeaks,rdata"
                help="xcmsSet object saved as an RData file"/>

        <param name="extract_peaks" type="boolean" checked="false" label="Save peaks to a tsv file"
               />

    </inputs>
    <outputs>

        <data name="xset_with_rt_raw" format="rdata" label="xset.track_rt_raw.RData" from_work_dir="xset_rt_raw_tracked.RData"/>

        <data name="xset_extract_peaks" format="tsv" label="xset_peaks.tsv" from_work_dir="xset_peaks.tsv">
            <filter>extract_peaks is True</filter>
         </data>
    </outputs>
    <tests>
       <test>
         <param name="xset" value="LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.xset.group.rdata"/>
         <param name="extract_peaks" value="True"/>
         <output name="xset_extract_peaks" value="xset_peaks.tsv"/>
       </test>
    </tests>

    
    <help><![CDATA[
=============================================================
Track raw retention time for XCMS set
=============================================================
-----------
Description
-----------
Tool to store the original raw peak information on the xset@peaks slot. Note: This can only be done BEFORE the retention alignment has been performed.


-----------
Outputs
-----------

* xset_with_rt_raw: xcmsSet object with raw retention of peaks saved on the xset@peaks slot



]]></help>
<expand macro="citations" />
</tool>