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comparison cif2cell.xml @ 1:a2583fac03ab draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/cif2cell commit 6a07c4caed5ef35f35198d54ebafd7d1d6d60edb
author muon-spectroscopy-computational-project
date Thu, 15 Sep 2022 10:23:01 +0000
parents 53df1118d404
children 60ad7a4f1faf
comparison
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0:53df1118d404 1:a2583fac03ab
24 </inputs> 24 </inputs>
25 <outputs> 25 <outputs>
26 <data label="Conversion of $cif_structure.name to .cell" name="out_cell" format="cell" from_work_dir="out.cell" /> 26 <data label="Conversion of $cif_structure.name to .cell" name="out_cell" format="cell" from_work_dir="out.cell" />
27 </outputs> 27 </outputs>
28 <tests> 28 <tests>
29 <test> 29 <test expect_num_outputs="1">
30 <param name="cif_structure" value="Si.cif" ftype="cif" /> 30 <param name="cif_structure" value="Si.cif" ftype="cif" />
31 <output name="out_cell" file="Si_out.cell" compare="diff" lines_diff="2" ftype="cell" /> 31 <output name="out_cell" file="Si_out.cell" compare="diff" lines_diff="2" ftype="cell" />
32 </test> 32 </test>
33 <test> 33 <test expect_num_outputs="1">
34 <param name="cif_structure" value="diamond.cif" ftype="cif" /> 34 <param name="cif_structure" value="diamond.cif" ftype="cif" />
35 <output name="out_cell" file="diamond_out.cell" compare="diff" lines_diff="2" ftype="cell" /> 35 <output name="out_cell" file="diamond_out.cell" compare="diff" lines_diff="2" ftype="cell" />
36 </test> 36 </test>
37 </tests> 37 </tests>
38 <help><![CDATA[ 38 <help><![CDATA[