Mercurial > repos > chemteam > biomd_rmsd_clustering
diff rmsd_clustering.xml @ 2:b9c46dbe9605 draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author | chemteam |
---|---|
date | Fri, 13 Nov 2020 19:38:57 +0000 |
parents | ee1f38eb220e |
children |
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--- a/rmsd_clustering.xml Fri Sep 11 21:55:34 2020 +0000 +++ b/rmsd_clustering.xml Fri Nov 13 19:38:57 2020 +0000 @@ -2,7 +2,7 @@ <description>from MD RMSD matrix data</description> <macros> <token name="@TOOL_VERSION@">1.5.2</token> - <token name="@GALAXY_VERSION@">0</token> + <token name="@GALAXY_VERSION@">1</token> </macros> <requirements> <requirement type="package" version="@TOOL_VERSION@">scipy</requirement> @@ -28,7 +28,7 @@ #end if --start '$start' --end '$end' - '$normalize' + $normalize ]]></command> <inputs> <param label="JSON or tabular input file" type="data" format="json,tabular" name="inp" argument="--json"/> @@ -75,6 +75,18 @@ <output name="hmap" value="heatmap.png"/> <output name="Z" value="Z.tabular"/> </test> + <test expect_num_outputs="2"> + <param name="inp" value="inp.json"/> + <param name="dendrogram" value="false"/> + <param name="heatmap" value="false"/> + <param name="clustering_method" value="average"/> + <param name="cmap" value="plasma"/> + <param name="start" value="0"/> + <param name="end" value="-1"/> + <param name="normalize" value="false"/> + <output name="outp_mat" value="outp_mat_unnormalized.tabular"/> + <output name="Z" value="Z_unnormalized.tabular"/> + </test> </tests> <help><![CDATA[ .. class:: infomark