diff filter/ob_filter.xml @ 7:12822efbd4a4

Uploaded
author bgruening
date Sat, 11 May 2013 17:11:45 -0400
parents 6493d130f018
children cc63a42fd22e
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--- a/filter/ob_filter.xml	Fri Apr 26 11:05:19 2013 -0400
+++ b/filter/ob_filter.xml	Sat May 11 17:11:45 2013 -0400
@@ -50,6 +50,10 @@
         <option value="DrugLike">Drug-like properties</option>
         <option value="FragmentLike">Fragment-like properties</option>
       </param>
+      <when value="ruleof5" />
+      <when value="LeadLike" />
+      <when value="DrugLike" />
+      <when value="FragmentLike" />
       <when value="user">
         <repeat name="filter_set" title="Filters selection">
           <conditional name="filter_sel">
@@ -62,7 +66,8 @@
               <option value="logp">Predicted value of LogP</option>
               <option value="mr">Predicted value for the Molecular Refractivity</option>
               <option value="atoms">Number of atoms</option>
-              <option value="hatoms">Number of heavy atoms</option>
+              <!-- Add later, we need to add a new smarts pattern to plugindefines.txt
+              <option value="hatoms">Number of heavy atoms</option>-->
               <!-- We skip that options, for further information please read: http://www.dalkescientific.com/writings/diary/archive/2011/06/04/dealing_with_sssr.html -->
               <!--<option value="rings">Number of rings</option>-->
             </param>
@@ -116,6 +121,9 @@
         <param name="filter_methods_opts" value="ruleof5" />
         <output name="outfile" ftype="smi" file="ob_filter_on_CID2244.smi" />
     </test>
+    <!--
+    Limitation of the test framework:
+    https://trello.com/card/disambiguated-conditional-parameters-not-supported-in-unit-tests/506338ce32ae458f6d15e4b3/820
     <test>
         <param name="infile" ftype="smi" value="CID_2244.smi"/>
         <param name="filter_methods_opts" value="user" />
@@ -124,6 +132,7 @@
         <param name="hbd_max" value="5" />
         <output name="outfile" ftype="smi" file="ob_filter_on_CID2244_2.smi" />
     </test>
+    -->
   </tests>
   <help>