The FixBondSystemTool changed the bond orders, and thus the fingerpri…

…nt, and hence the tanimoto
bioclipse · Aug 12, 2012 · 0d1750c · 0d1750c
1 parent c269483
commit 0d1750c
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/...e.cdk.business.test/src/net/bioclipse/cdk/business/test/AbstractCDKManagerPluginTest.java b/...e.cdk.business.test/src/net/bioclipse/cdk/business/test/AbstractCDKManagerPluginTest.java
@@ -2032,13 +2032,13 @@ public void testGetFormats() {
         mf=new MockIFile(path);
         ICDKMolecule mol2 = cdk.loadMolecule(mf);
         float similarity2 = cdk.calculateTanimoto( mol,mol2 );
-        Assert.assertEquals( 0.1163, similarity2, 0.0001 );
+        Assert.assertEquals( 0.1407, similarity2, 0.0001 );
     }
 
     @Test public void testMultipleTanimoto() throws Exception {
         List<Float> expected= new ArrayList<Float>();
         expected.add((float)1);
-        expected.add((float)0.1163);
+        expected.add((float)0.1407);
         List<Float> actuals= new ArrayList<Float>();
         URI uri = getClass().getResource("/testFiles/aromatic.mol").toURI();
         URL url=FileLocator.toFileURL(uri.toURL());