comparison macros.xml @ 16:ef8e6d99fc15 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033"

15:ea0e6d2f1be7

        <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}">
            <filter>capture_log</filter>
        </data>
    </xml>

    <xml name="test_params">
        <param name="mdpfile" value="default" />
        <param name="step_length" value="0.002"/>
        <param name="md_steps" value="500"/>
        <param name="write_freq" value="50"/>

16:ef8e6d99fc15

        <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}">
            <filter>capture_log</filter>
        </data>
    </xml>

    <xml name="xvg_or_tab">
        <param argument="fmt" type='select' label="Output format" help="Format for output; either standard GROMACS XVG, or Galaxy tabular file.">
            <option value="xvg">GROMACS XVG format</option>
            <option value="tabular" selected="true">Galaxy tabular</option>
        </param>
    </xml>

    <xml name="xvg_or_tab_outputs" token_name="" token_label="">
        <data name="output1" format="xvg" from_work_dir="@NAME@.xvg" label="@LABEL@">
            <filter>fmt == 'xvg'</filter>
        </data>
        <data name="output2" format="tabular" from_work_dir="@NAME@.tabular" label="@LABEL@">
            <filter>fmt == 'tabular'</filter>
        </data>
    </xml>

    <xml name="test_params">
        <param name="mdpfile" value="default" />
        <param name="step_length" value="0.002"/>
        <param name="md_steps" value="500"/>
        <param name="write_freq" value="50"/>