Mercurial > repos > muon-spectroscopy-computational-project > pm_symmetry

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

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Fri, 26 Jul 2024 12:57:53 +0000
parents c062cefbb20f
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3:c062cefbb20f 4:34c550d15bd4
1 <tool id="pm_symmetry" name="PyMuonSuite Symmetry" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT"> 1 <tool id="pm_symmetry" name="PyMuonSuite Symmetry" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
2 <description>generate Wyckoff points symmetry report</description> 2 <description>generate Wyckoff points symmetry report</description>
3 <macros> 3 <macros>
4 <!-- version of this tool wrapper (integer) --> 4 <!-- version of this tool wrapper (integer) -->
5 <token name="@WRAPPER_VERSION@">0</token> 5 <token name="@WRAPPER_VERSION@">1</token>
6 <import>muon_macros.xml</import> 6 <import>muon_macros.xml</import>
7 </macros> 7 </macros>
8 <creator> 8 <creator>
9 <person givenName="Jyothish" familyName="Thomas" identifier="https://orcid.org/0000-0003-4724-6924"/> 9 <person givenName="Jyothish" familyName="Thomas" identifier="https://orcid.org/0000-0003-4724-6924"/>
10 <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/> 10 <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/>
20 ]]></command> 20 ]]></command>
21 <inputs> 21 <inputs>
22 <param type="data" name="structure" label="Structure file" format="cell,cif,xyz,extxyz" help="The structure to calculate symmetries of. Accepted file types: cell."/> 22 <param type="data" name="structure" label="Structure file" format="cell,cif,xyz,extxyz" help="The structure to calculate symmetries of. Accepted file types: cell."/>
23 </inputs> 23 </inputs>
24 <outputs> 24 <outputs>
25 <data label="symmetry of $structure.name" name="symmetry_report" format="txt" from_work_dir="out.txt"/> 25 <data name="symmetry_report" format="txt" from_work_dir="out.txt"/>
26 </outputs> 26 </outputs>
27 <tests> 27 <tests>
28 <test expect_num_outputs="1"> 28 <test expect_num_outputs="1">
29 <param name="structure" value="Si.cell" ftype="cell"/> 29 <param name="structure" value="Si.cell" ftype="cell"/>
30 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/> 30 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/>