[Cdk-commits] CVS: cdk/src/org/openscience/cdk/test/qsar IsProtonInAromaticSystemDescriptorTest.java,1.1,1.2

[Matteo F. <mf...@us...>]

Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/test/qsar
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv18894/src/org/openscience/cdk/test/qsar

Modified Files:
	IsProtonInAromaticSystemDescriptorTest.java 
Log Message:
commit a test file not previously commited

Index: IsProtonInAromaticSystemDescriptorTest.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/qsar/IsProtonInAromaticSystemDescriptorTest.java,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -r1.1 -r1.2
--- IsProtonInAromaticSystemDescriptorTest.java	26 Nov 2004 12:51:36 -0000	1.1
+++ IsProtonInAromaticSystemDescriptorTest.java	26 Nov 2004 16:15:44 -0000	1.2
@@ -28,8 +28,10 @@
 import junit.framework.TestCase;
 import junit.framework.TestSuite;
 import org.openscience.cdk.AtomContainer;
+import org.openscience.cdk.Molecule;
 import org.openscience.cdk.smiles.SmilesParser;
 import org.openscience.cdk.exception.CDKException;
+import org.openscience.cdk.tools.HydrogenAdder;
 
 public class IsProtonInAromaticSystemDescriptorTest extends TestCase {
 	
@@ -44,7 +46,9 @@
 		Object[] params = {new Integer(0), new Boolean(false)};
 		descriptor.setParameters(params);
 		SmilesParser sp = new SmilesParser();
-		AtomContainer mol = sp.parseSmiles("Cc1ccccc1"); 
+		Molecule mol = sp.parseSmiles("Cc1ccccc1"); 
+		HydrogenAdder hAdder = new HydrogenAdder();
+		hAdder.addExplicitHydrogensToSatisfyValency(mol);
 		assertFalse(((Boolean)descriptor.calculate(mol)).booleanValue());
 	}
 }