comparison pm_symmetry.xml @ 4:34c550d15bd4 draft default tip

planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit 389608650050596b28bc0c055de9f98c513a6f65

3:c062cefbb20f

<tool id="pm_symmetry" name="PyMuonSuite Symmetry" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
    <description>generate Wyckoff points symmetry report</description>
    <macros>
        <!-- version of this tool wrapper (integer) -->
        <token name="@WRAPPER_VERSION@">0</token>
        <import>muon_macros.xml</import>
    </macros>
    <creator>
        <person givenName="Jyothish" familyName="Thomas" identifier="https://orcid.org/0000-0003-4724-6924"/>
        <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/>

    ]]></command>
    <inputs>
        <param type="data" name="structure" label="Structure file" format="cell,cif,xyz,extxyz" help="The structure to calculate symmetries of. Accepted file types: cell."/>
    </inputs>
    <outputs>
        <data label="symmetry of $structure.name" name="symmetry_report" format="txt" from_work_dir="out.txt"/>
    </outputs>
    <tests>
        <test expect_num_outputs="1">
            <param name="structure" value="Si.cell" ftype="cell"/>
            <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/>

4:34c550d15bd4

<tool id="pm_symmetry" name="PyMuonSuite Symmetry" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
    <description>generate Wyckoff points symmetry report</description>
    <macros>
        <!-- version of this tool wrapper (integer) -->
        <token name="@WRAPPER_VERSION@">1</token>
        <import>muon_macros.xml</import>
    </macros>
    <creator>
        <person givenName="Jyothish" familyName="Thomas" identifier="https://orcid.org/0000-0003-4724-6924"/>
        <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/>

    ]]></command>
    <inputs>
        <param type="data" name="structure" label="Structure file" format="cell,cif,xyz,extxyz" help="The structure to calculate symmetries of. Accepted file types: cell."/>
    </inputs>
    <outputs>
        <data name="symmetry_report" format="txt" from_work_dir="out.txt"/>
    </outputs>
    <tests>
        <test expect_num_outputs="1">
            <param name="structure" value="Si.cell" ftype="cell"/>
            <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/>