comparison mol2gspan.xml @ 2:ec22d245d224 draft default tip

Uploaded

1:5f97004c7f57

<tool id="bg_mol2gspan" name="Molecule to gSpan" version="0.2">
    <description>converter</description>
    <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10" shared_inputs="" merge_outputs="outfile"></parallelism>
    <requirements>
        <requirement type="package" version="2.3.2">openbabel</requirement>
        <requirement type="set_environment">MOL2GSPAN_SCRIPT_PATH</requirement>
    </requirements>
    <command interpreter="python">
        mol2gspan.py 
            --infile $infile
            --outfile $outfile
            --format $infile.ext

2:ec22d245d224

<tool id="bg_mol2gspan" name="Molecule to gSpan" version="0.2">
    <description>converter</description>
    <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10" shared_inputs="" merge_outputs="outfile"></parallelism>
    <requirements>
        <requirement type="package" version="2.3.2">openbabel</requirement>
    </requirements>
    <xml name="stdio">
        <stdio>
            <exit_code range="1:" />
            <exit_code range=":-1" />
            <regex match="Error" />
            <regex match="Exception" />
        </stdio>
    </xml>
    <command interpreter="python">
        mol2gspan.py 
            --infile $infile
            --outfile $outfile
            --format $infile.ext