view msp_split.xml @ 5:f2683ec717fe draft default tip

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a164f06c09dc1614c2909c247ebf390aab433527-dirty

<tool id="msp_split" name="msp_split" version="0.0.2">
    <description>Slit MSP file into n number of files</description>

    <stdio>
        <exit_code range="1:" />
    </stdio>
    <command interpreter="python"><![CDATA[  msp_split.py -i $in_msp -o 'spec_out' -n $n -x $x ]]></command>

    <inputs>
        <param name="in_msp" type="data" label="Input MSP file" format="txt,msp" help='MSP file (must have NAME: as the first element in each spectra entry'/>
        <param name="n" type="integer" label="Number of new files" value="2"
               help="Number of new MSP files to split the original MSP file into"/>
        <param name="x" type="text" label="Starting parameter for each spectra" value="RECORD_TITLE:"
               help="Parameter in the MSP file that indicates the start of a each spectra"/>
    </inputs>
    <outputs>
        <collection name="multiple" type="list" label="${tool.name} on ${on_string}: multi msp files">
            <discover_datasets pattern="__designation_and_ext__" ext='msp' directory="spec_out" format='msp' />
        </collection>
    </outputs>
    <tests>
        <test>
            <param name="in_msp" value="input.msp"/>
            <output_collection name="multiple" type="list">
                <element name="file1" file="file01.msp" ftype="msp"/>
                <element name="file2" file="file02.msp" ftype="msp"/>
            </output_collection>
        </test>
    </tests>
    <help><![CDATA[
=============================================================
msp split
=============================================================
Split a MSP file into n MSP files. Where the the spectra will be divided between n files.

    ]]></help>

 <citations>
           <!-- <citation type="doi">10.1021/acs.analchem.6b04358</citation> -->
 </citations>

</tool>