Mercurial > repos > recetox > retip_apply
diff retip_apply.xml @ 9:a66070c7d55b draft default tip
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author | recetox |
---|---|
date | Fri, 28 Jan 2022 16:28:38 +0000 |
parents | eaccaebf11cb |
children |
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--- a/retip_apply.xml Tue Mar 09 18:29:03 2021 +0000 +++ b/retip_apply.xml Fri Jan 28 16:28:38 2022 +0000 @@ -3,6 +3,8 @@ <macros> <import>macros.xml</import> </macros> + <expand macro="creator"/> + <expand macro="requirements"/> <command detect_errors="exit_code"><![CDATA[ #if $input_smiles.is_of_type('tabular') @@ -17,10 +19,12 @@ <param name="model_h5" label="Select Model.h5 Dataset" type="data" format="h5" optional="false"/> <param format="tabular,h5" name="input_smiles" type="data" label="Select Input Smiles tsv or h5 Dataset" optional="false"/> - <param name="smiles_col" type="text" label="Name of input column with SMILES" optional="true" value="qsar_smiles"/> - <param name="name_col" type="text" label="Name of input column with some unique identifier" optional="true" value="recetox_cid"/> - <param name="ids" type="text" label="Input H5 dataset" optional="true" value="/annotations"/> - <param name="ods" type="text" label="Output H5 dataset" optional="true" value="/annotations"/> + <param name="smiles_col" type="text" label="Name of input column with SMILES" optional="true" + value="qsar_smiles"/> + <param name="name_col" type="text" label="Name of input column with some unique identifier" optional="true" + value="recetox_cid"/> + <param name="ids" type="text" label="Input H5 dataset" optional="true" value="/annotations"/> + <param name="ods" type="text" label="Output H5 dataset" optional="true" value="/annotations"/> </inputs> <outputs> <data format_source="input_smiles" name="output_good" label="Predicted RT" from_work_dir="output_file"/> @@ -44,12 +48,13 @@ <output name="output_bad" file="bad.h5" ftype="h5" compare="sim_size" delta="50"/> </test> </tests> - <help><![CDATA[ -.. class:: infomark + <help> + <![CDATA[ + .. class:: infomark -This tool is used for **Retention Time Prediction** on a whole database. + This tool is used for **Retention Time Prediction** on a whole database. -@HELP@ + @HELP@ ]]> </help> <expand macro="citations"/>