comparison mz_to_sqlite.xml @ 3:c8bdcf574413 draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mz_to_sqlite commit ae0093d9f1576f38aee83b2ed5e7f70c901d5864

2:8df9fe030d68

<tool id="mz_to_sqlite" name="mz to sqlite" version="1.2.0">
    <description>Extract mzIdentML and associated proteomics datasets into a SQLite DB</description>
    <requirements>
      <requirement type="package" version="1.2.0">mztosqlite</requirement>
    </requirements>
   <stdio>
       <exit_code range="1:"  level="fatal" description="Error Running mz_to_sqlite" />
   </stdio>
    <command>
<![CDATA[
java -jar \$MZTOSQLITE_JAR_PATH -s $mzsqlite 
#if len($scanfiles) > 0:
$scanfiles.__str__.replace(',',' ') 
#end if
#if len($searchdbs) > 0:
$searchdbs.__str__.replace(',',' ') 
#end if
#if len($mzinputs) > 0:
$mzinputs.__str__.replace(',',' ')
#end if
]]>
    </command>
    <inputs>
        <param name="mzinputs" type="data" format="mzid" multiple="true" optional="true" label="Proteomics Identification files"/>
        <param name="scanfiles" type="data" format="mzml,mgf" multiple="true" optional="true" label="Proteomics Spectrum files"/>
        <param name="searchdbs" type="data" format="fasta,uniprotxml" multiple="true" optional="true" label="Proteomics Search Database Fasta"
               help="These can provide sequences and length for proteins if not already present in the mzIdentML input"/>
    </inputs>
    <outputs>
        <data format="mz.sqlite" name="mzsqlite" label="${tool.name} on ${on_string}"/>
    </outputs>
    <tests>
        <test>
        </test>
    </tests>
    <help>
<![CDATA[
** mz_to_sqlite  converts proteomics file formats to a SQLite database**

]]>
    </help>
</tool>

3:c8bdcf574413

<tool id="mz_to_sqlite" name="mz to sqlite" version="2.0.2">
    <description>Extract mzIdentML and associated proteomics datasets into a SQLite DB</description>
    <requirements>
      <requirement type="package" version="2.0.2">mztosqlite</requirement>
    </requirements>
   <stdio>
       <exit_code range="1:"  level="fatal" description="Error Running mz_to_sqlite" />
   </stdio>
    <command>
<![CDATA[
mz_to_sqlite -Xms1g -Xmx6g 
     -numthreads "\${GALAXY_SLOTS:-4}"
     -dbname 'sqlite.db'
     -mzid '$mzinput'
     #if len($scanfiles) > 0:
     #set $files = " ".join(["'"+ a.strip() + "'" for a in str($scanfiles).split(',')])
     -scanfiles $files
     #set $dfiles = [a for a in $scanfiles]
     -scanFilesDisplayName 
          #for $f in $dfiles
          '$f.display_name'  
          #end for
     #end if
     #if len($searchdbs) > 0:
     #set $dbFiles =  " ".join(["'"+ a.strip() + "'" for a in str($searchdbs).split(',')])
     -fasta $dbFiles
     #end if
]]>
    </command>
    <inputs>
        <param name="mzinput" type="data" format="mzid" label="Proteomics Identification files"/>
        <param name="scanfiles" type="data" format="mzml,mgf" multiple="true" optional="true" label="Proteomics Spectrum files"/>
        <param name="searchdbs" type="data" format="fasta,uniprotxml" multiple="true" optional="true" label="Proteomics Search Database Fasta"
               help="These can provide sequences and length for proteins if not already present in the mzIdentML input"/>
    </inputs>
    <outputs>
        <data format="mz.sqlite" name="sqlite_db" label="${tool.name} on ${on_string}" from_work_dir="sqlite.db"/>
    </outputs>
    <tests>
        <test>
            <param name="mzinput" value="test_id.mzid" ftype="mzid"></param>
            <param name="scanfiles" value="test.mgf" ftype="mgf"></param>
            <param name="searchdbs" value="test.fasta" ftype="fasta"></param>
            <output name="sqlite_db" file="sqlite.db" />
        </test>
    </tests>
    <help>
<![CDATA[
** mz_to_sqlite  converts proteomics file formats to a SQLite database**

]]>
    </help>
    <citations></citations>
</tool>