Additional testing, based on bond order information, now possible

Change-Id: I5585560edab76b3e96434698c786ef9919be18a7 Signed-off-by: John May <john.wilkinsonmay@gmail.com>
cdk · Oct 7, 2012 · 8e00a75 · 8e00a75
1 parent 001f488
commit 8e00a75
Showing 1 changed file with 11 additions and 0 deletions.
diff --git a/src/test/org/openscience/cdk/atomtype/AbstractAtomTypeTest.java b/src/test/org/openscience/cdk/atomtype/AbstractAtomTypeTest.java
@@ -36,7 +36,9 @@
 import org.openscience.cdk.interfaces.IAtomType;
 import org.openscience.cdk.interfaces.IBond;
 import org.openscience.cdk.interfaces.IChemObjectBuilder;
+import org.openscience.cdk.interfaces.IBond.Order;
 import org.openscience.cdk.tools.manipulator.AtomTypeManipulator;
+import org.openscience.cdk.tools.manipulator.BondManipulator;
 
 /**
  * Helper class that all atom type matcher test classes must implement.
@@ -144,6 +146,15 @@ private void assertConsistentProperties(IAtomContainer mol, IAtom atom, IAtomTyp
     			connectionCount > matched.getFormalNeighbourCount()
     		);
     	}
+    	if (matched.getMaxBondOrder() != null) {
+    		Order expectedMax = matched.getMaxBondOrder();
+    		Order maxBondOrder = BondManipulator.getMaximumBondOrder(connections);
+    		Assert.assertTrue(
+    			"The highest bond order exceeds the maximum for the atom type",
+    			BondManipulator.isHigherOrder(expectedMax, maxBondOrder) |
+    			expectedMax == maxBondOrder
+    		);
+    	}
 	}
 
 	public void assertAtomType(Map<String, Integer> testedAtomTypes, String expectedID, IAtomType foundAtomType) {