[Cdk-commits] SF.net SVN: cdk: [7083] trunk/cdk/src/org/openscience/cdk/test/tools/ manipulator/AtomContainerManipulatorTest.java

[<ma...@us...>]

Revision: 7083
          http://svn.sourceforge.net/cdk/?rev=7083&view=rev
Author:   martitm
Date:     2006-10-02 12:09:54 -0700 (Mon, 02 Oct 2006)

Log Message:
-----------
added testAddRemoveHydrogens method- adds hydrogens to a molecule then removes them and checks if hydrogen counts are zero.

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/test/tools/manipulator/AtomContainerManipulatorTest.java

Modified: trunk/cdk/src/org/openscience/cdk/test/tools/manipulator/AtomContainerManipulatorTest.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/test/tools/manipulator/AtomContainerManipulatorTest.java	2006-10-02 18:46:25 UTC (rev 7082)
+++ trunk/cdk/src/org/openscience/cdk/test/tools/manipulator/AtomContainerManipulatorTest.java	2006-10-02 19:09:54 UTC (rev 7083)
@@ -39,6 +39,7 @@
 import org.openscience.cdk.smiles.SmilesParser;
 import org.openscience.cdk.templates.MoleculeFactory;
 import org.openscience.cdk.test.CDKTestCase;
+import org.openscience.cdk.tools.HydrogenAdder;
 import org.openscience.cdk.tools.manipulator.AtomContainerManipulator;
 
 /**
@@ -109,6 +110,31 @@
         assertTrue(ac.getFlag(5));
     }
 
+   public void testAddRemoveHydrogens() {
+
+		SmilesParser parser = new SmilesParser();
+		HydrogenAdder hydrogenAdder = null;
+
+		try {
+
+			Molecule mol = parser.parseSmiles("c1ccccc1");
+
+			hydrogenAdder = new HydrogenAdder(
+					"org.openscience.cdk.tools.ValencyChecker");
+
+			hydrogenAdder.addExplicitHydrogensToSatisfyValency(mol);
+
+			mol = (Molecule) AtomContainerManipulator.removeHydrogens(mol);
+
+			assertEquals(0, mol.getAtom(0).getHydrogenCount());
+			assertEquals(0, AtomContainerManipulator.getTotalHydrogenCount(mol));
+
+		} catch (Exception ex) {
+			ex.printStackTrace();
+		}
+
+	}
+    
     /**
      * Test removeHydrogens for B2H6, which contains two multiply bonded H.
      *


This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.