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>