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

comparison pm_asephonons.xml @ 1:641fda3dfb62 draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit 6a07c4caed5ef35f35198d54ebafd7d1d6d60edb
author muon-spectroscopy-computational-project
date Thu, 15 Sep 2022 10:24:36 +0000
parents 4bc5e66259ca
children dd3ca8457fcd
comparison
equal deleted inserted replaced
0:4bc5e66259ca 1:641fda3dfb62
62 <outputs> 62 <outputs>
63 <data label="phonons outputs of $structure.name" name="phonon_outputs" format="zip" from_work_dir="out_zip.zip"/> 63 <data label="phonons outputs of $structure.name" name="phonon_outputs" format="zip" from_work_dir="out_zip.zip"/>
64 <data label="phonon report for $structure.name" name="phonon_report" format="txt" from_work_dir="phonon_report.txt"/> 64 <data label="phonon report for $structure.name" name="phonon_report" format="txt" from_work_dir="phonon_report.txt"/>
65 </outputs> 65 </outputs>
66 <tests> 66 <tests>
67 <test> 67 <test expect_num_outputs="2">
68 <param name="structure" value="Si.cell" ftype="cell"/> 68 <param name="structure" value="Si.cell" ftype="cell"/>
69 <param name="name" value="Si"/> 69 <param name="name" value="Si"/>
70 <param name="dftb_set" value="pbc-0-3"/> 70 <param name="dftb_set" value="pbc-0-3"/>
71 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match"> 71 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match">
72 <assert_contents> 72 <assert_contents>
73 <has_size value="8155" delta="20"/> 73 <has_size value="8155" delta="20"/>
74 </assert_contents> 74 </assert_contents>
75 </output> 75 </output>
76 </test> 76 </test>
77 <test> 77 <test expect_num_outputs="2">
78 <param name="structure" value="Si.cif" ftype="cif"/> 78 <param name="structure" value="Si.cif" ftype="cif"/>
79 <param name="name" value="Si"/> 79 <param name="name" value="Si"/>
80 <param name="dftb_set" value="pbc-0-3"/> 80 <param name="dftb_set" value="pbc-0-3"/>
81 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match"> 81 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match">
82 <assert_contents> 82 <assert_contents>
83 <has_size value="8155" delta="20"/> 83 <has_size value="8155" delta="20"/>
84 </assert_contents> 84 </assert_contents>
85 </output> 85 </output>
86 </test> 86 </test>
87 <test> 87 <test expect_num_outputs="2">
88 <param name="structure" value="Si.xyz" ftype="xyz"/> 88 <param name="structure" value="Si.xyz" ftype="xyz"/>
89 <param name="name" value="Si"/> 89 <param name="name" value="Si"/>
90 <param name="dftb_set" value="pbc-0-3"/> 90 <param name="dftb_set" value="pbc-0-3"/>
91 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match"> 91 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match">
92 <assert_contents> 92 <assert_contents>
93 <has_size value="8155" delta="20"/> 93 <has_size value="8155" delta="20"/>
94 </assert_contents> 94 </assert_contents>
95 </output> 95 </output>
96 </test> 96 </test>
97 <test> 97 <test expect_num_outputs="2">
98 <param name="structure" value="Si.extxyz" ftype="extxyz"/> 98 <param name="structure" value="Si.extxyz" ftype="extxyz"/>
99 <param name="name" value="Si"/> 99 <param name="name" value="Si"/>
100 <param name="dftb_set" value="pbc-0-3"/> 100 <param name="dftb_set" value="pbc-0-3"/>
101 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match"> 101 <output name="phonon_report" file="test_out.txt" ftype="txt" compare="re_match">
102 <assert_contents> 102 <assert_contents>