Mercurial > repos > anmoljh > candidate_compound_select
changeset 1:843adfe71ce2 draft
planemo upload commit a1f4dd8eb560c649391ada1a6bb9505893a35272-dirty
| author | anmoljh |
|---|---|
| date | Sun, 03 Jun 2018 01:35:07 -0400 |
| parents | 639d350de274 |
| children | 1de0e9f0367d |
| files | select_compound.xml |
| diffstat | 1 files changed, 32 insertions(+), 31 deletions(-) [+] |
line wrap: on
line diff
--- a/select_compound.xml Fri Jun 01 04:38:30 2018 -0400 +++ b/select_compound.xml Sun Jun 03 01:35:07 2018 -0400 @@ -1,38 +1,39 @@ <?xml version="1.0"?> -<tool id="select_compound" name="Compound Selector" version="1.0"> -<description>This tool selects compounds from prediction result based on score</description> +<tool id="candidate_compound_selector" name="Candidate Compound Selector" version="1.0"> + + <description>selects compounds from prediction result based on score</description> -<requirements> - <requirement type="package" version="3.2.1">R</requirement> -</requirements> + <requirements> + <requirement type="package" version="3.2.1">R</requirement> + </requirements> -<stdio> - <exit_code range="1:" /> -</stdio> + <stdio> + <exit_code range="1:" /> + </stdio> -<command interpreter="Rscript">select_compound.R $predictionfile $LT $GT $type $SelectedCompound </command> + <command interpreter="Rscript">select_compound.R $predictionfile $LT $GT $type $SelectedCompound </command> -<inputs> - <param name="predictionfile" type="data" format="txt,tabular,csv" label="Predition Result File" help ="upload gcac prediction result file " /> - <param name="type" type="select" label="Active/Positive or Inactive/Negative" help ="select type of molecule"> - <option value="Active" selected="True">Active/Positive</option> - <option value="Inactive">Inactive/Negative</option> - </param> - <param name="GT" type="float" value="0.5" label="Score greater than and equal to" help ="define value above which compound selected default is 0.5" /> - <param name="LT" type="float" value="1.0" label="Score less than and equal to" help ="define value below which compound selected default is 1" /> -</inputs> + <inputs> + <param name="predictionfile" type="data" format="txt,tabular,csv" label="Predition Result File" help ="upload gcac prediction result file" /> + <param name="type" type="select" label="Active/Positive or Inactive/Negative" help ="select type of molecule"> + <option value="Active" selected="True">Active/Positive</option> + <option value="Inactive">Inactive/Negative</option> + </param> + <param name="GT" type="float" value="0.5" label="Score greater than and equal to" help ="define value above which compound selected default is 0.5" /> + <param name="LT" type="float" value="1.0" label="Score less than and equal to" help ="define value below which compound selected default is 1" /> + </inputs> -<outputs> - <data name="SelectedCompound" format="txt" label="Refind-${predictionfile.name}" /> -</outputs> -<tests> - <test> - <param name="predictionfile" value="prediction_set_result.txt" /> - <param name="type" value="Active" /> - <param name="GT" value="0.5" /> - <param name="LT" value="1.0" /> - <output name="SelectedCompound" file="selected_prediction_set_result.txt" compare="sim_size" delta="4000" /> - </test> -</tests> -<help></help> + <outputs> + <data name="SelectedCompound" format="txt" label="Refind-${predictionfile.name}" /> + </outputs> + <tests> + <test> + <param name="predictionfile" value="prediction_set_result.txt" /> + <param name="type" value="Active" /> + <param name="GT" value="0.5" /> + <param name="LT" value="1.0" /> + <output name="SelectedCompound" file="selected_prediction_set_result.txt" compare="sim_size" delta="4000" /> + </test> + </tests> + <help></help> </tool>