Mercurial > repos > bgruening > mordred
changeset 3:cc0f89287ecf draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/mordred commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
| author | bgruening |
|---|---|
| date | Tue, 28 Jul 2020 08:31:30 -0400 |
| parents | d074b0c2b54f |
| children | |
| files | mordred_descriptors.xml |
| diffstat | 1 files changed, 8 insertions(+), 4 deletions(-) [+] |
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--- a/mordred_descriptors.xml Wed Nov 06 13:59:30 2019 -0500 +++ b/mordred_descriptors.xml Tue Jul 28 08:31:30 2020 -0400 @@ -1,7 +1,11 @@ -<tool id="ctb_mordred_descriptors" name="Calculate molecular descriptors" version="1.2.0"> +<tool id="ctb_mordred_descriptors" name="Calculate molecular descriptors" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> + <macros> + <token name="@TOOL_VERSION@">1.2.0</token> + <token name="@GALAXY_VERSION@">0</token> + </macros> <description>with Mordred</description> <requirements> - <requirement type="package" version="1.2.0">mordred</requirement> + <requirement type="package" version="@TOOL_VERSION@">mordred</requirement> </requirements> <command detect_errors="exit_code"><![CDATA[ python '$__tool_directory__/mordred_descriptors.py' @@ -31,14 +35,14 @@ <param name="header" value="True" /> <param name="use_3d" value="True" /> <param name="smi_col" value="False" /> - <output name="output" ftype='tabular' file="10sdf.tab" /> + <output name="output" ftype='tabular' file="10sdf.tab" lines_diff="2"/> </test> <test> <param name="input" ftype='smi' value="8mol.smi" /> <param name="header" value="True" /> <param name="use_3d" value="False" /> <param name="smi_col" value="True" /> - <output name="output" ftype='tabular' file="8smi.tab" /> + <output name="output" ftype='tabular' file="8smi.tab" lines_diff="2"/> </test> </tests>