Mercurial > repos > bgruening > eden_toolbox

changeset 3:e1fc8ecabba7 draft

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Uploaded
author bgruening
date Thu, 05 Sep 2013 12:43:10 -0400
parents a3edc97e056c
children 56e5c6ee3c1b
files EDeN_feature.xml EDeN_nearest_neighbor.xml
diffstat 2 files changed, 23 insertions(+), 1 deletions(-) [+]
line wrap: on
line diff
--- a/EDeN_feature.xml	Thu Sep 05 11:40:29 2013 -0400
+++ b/EDeN_feature.xml	Thu Sep 05 12:43:10 2013 -0400
@@ -4,6 +4,9 @@
         <requirement type="package" version="2.3.2">openbabel</requirement>
         <requirement type="set_environment">EDEN_SCRIPT_PATH</requirement>
     </requirements>
+    <macros>
+        <import>eden_macros.xml</import>
+    </macros>
     <command>
 
         ## pre-processing step if we have a molecule type we need to convert it to the gSpan format at first
@@ -134,7 +137,23 @@
             <when value="WDK" />
             <when value="PBK" />
             <when value="USPK" />
-            <when value="DDK,NSDDK,SK">
+            <when value="SK">
+                <param name="radius_two" type="integer" value="2" label="Radius Two" help="">
+                    <validator type="in_range" min="1" />
+                </param>
+                <param name="tree_lambda" type="float" value="1.2" label="Tree lambda" help="">
+                    <validator type="in_range" min="0.0" />
+                </param>
+            </when>
+            <when value="DDK">
+                <param name="radius_two" type="integer" value="2" label="Radius Two" help="">
+                    <validator type="in_range" min="1" />
+                </param>
+                <param name="tree_lambda" type="float" value="1.2" label="Tree lambda" help="">
+                    <validator type="in_range" min="0.0" />
+                </param>
+            </when>
+            <when value="NSDDK">
                 <param name="radius_two" type="integer" value="2" label="Radius Two" help="">
                     <validator type="in_range" min="1" />
                 </param>
--- a/EDeN_nearest_neighbor.xml	Thu Sep 05 11:40:29 2013 -0400
+++ b/EDeN_nearest_neighbor.xml	Thu Sep 05 12:43:10 2013 -0400
@@ -2,6 +2,9 @@
     <description></description>
     <requirements>
     </requirements>
+    <macros>
+        <import>eden_macros.xml</import>
+    </macros>
     <command>
         EDeN --action NEAREST_NEIGHBOR