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

comparison pm_symmetry.xml @ 1:d8146a73b011 draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit 6a07c4caed5ef35f35198d54ebafd7d1d6d60edb
author muon-spectroscopy-computational-project
date Thu, 15 Sep 2022 10:25:23 +0000
parents 39d7644724dc
children 620ab6826b9b
comparison
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0:39d7644724dc 1:d8146a73b011
38 </inputs> 38 </inputs>
39 <outputs> 39 <outputs>
40 <data label="symmetry of $structure.name" name="symmetry_report" format="txt" from_work_dir="out.txt"/> 40 <data label="symmetry of $structure.name" name="symmetry_report" format="txt" from_work_dir="out.txt"/>
41 </outputs> 41 </outputs>
42 <tests> 42 <tests>
43 <test> 43 <test expect_num_outputs="1">
44 <param name="structure" value="Si.cell" ftype="cell"/> 44 <param name="structure" value="Si.cell" ftype="cell"/>
45 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/> 45 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/>
46 </test> 46 </test>
47 <test> 47 <test expect_num_outputs="1">
48 <param name="structure" value="Si.cif" ftype="cif"/> 48 <param name="structure" value="Si.cif" ftype="cif"/>
49 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/> 49 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/>
50 </test> 50 </test>
51 <test expect_failure="true"> 51 <test expect_failure="true">
52 <param name="structure" value="Si.xyz" ftype="xyz"/> 52 <param name="structure" value="Si.xyz" ftype="xyz"/>
53 <assert_stderr> 53 <assert_stderr>
54 <has_text text="TypeError: 'NoneType' object is not subscriptable"/> 54 <has_text text="TypeError: 'NoneType' object is not subscriptable"/>
55 </assert_stderr> 55 </assert_stderr>
56 </test> 56 </test>
57 <test> 57 <test expect_num_outputs="1">
58 <param name="structure" value="Si.extxyz" ftype="extxyz"/> 58 <param name="structure" value="Si.extxyz" ftype="extxyz"/>
59 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/> 59 <output name="symmetry_report" file="test_out.txt" ftype="txt" compare="re_match_multiline"/>
60 </test> 60 </test>
61 </tests> 61 </tests>
62 <help><![CDATA[ 62 <help><![CDATA[