Added a few convenience methods to get the max bond order

Change-Id: I9b151d708216db1fc06f68194785cda038de6146 Signed-off-by: John May <john.wilkinsonmay@gmail.com>
cdk · Oct 7, 2012 · 4e45c7d · 4e45c7d
1 parent 6408139
commit 4e45c7d
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diff --git a/src/main/org/openscience/cdk/tools/manipulator/BondManipulator.java b/src/main/org/openscience/cdk/tools/manipulator/BondManipulator.java
@@ -28,6 +28,7 @@
 import org.openscience.cdk.annotations.TestMethod;
 import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IBond;
+import org.openscience.cdk.interfaces.IBond.Order;
 
 import java.util.Iterator;
 import java.util.List;
@@ -257,6 +258,39 @@ public static IBond.Order getMaximumBondOrder(Iterator<IBond> bonds) {
 		return maxOrder;
 	}
 
+    /**
+     * Returns the maximum bond order for the two bonds.
+     *
+     * @param  firstBond  first bond to compare
+     * @param  secondBond second bond to compare
+     * @return            The maximum bond order found
+     */
+    @TestMethod("testGetMaximumBondOrder_IBond_IBond")
+    public static IBond.Order getMaximumBondOrder(IBond firstBond, IBond secondBond) {
+    	if (isHigherOrder(firstBond.getOrder(), secondBond.getOrder()))
+    		return firstBond.getOrder();
+    	else
+    		return secondBond.getOrder();
+	}
+
+    /**
+     * Returns the maximum bond order for the two bond orders.
+     *
+     * @param  firstOrder  first bond order to compare
+     * @param  secondOrder second bond order to compare
+     * @return             The maximum bond order found
+     */
+    @TestMethod("testGetMaximumBondOrder_Order_Order")
+    public static IBond.Order getMaximumBondOrder(IBond.Order firstOrder, IBond.Order secondOrder) {
+    	if (firstOrder == Order.UNSET) return secondOrder;
+    	if (secondOrder == Order.UNSET) return firstOrder;
+
+    	if (isHigherOrder(firstOrder, secondOrder))
+    		return firstOrder;
+    	else
+    		return secondOrder;
+	}
+
 	/**
 	 * Returns the minimum bond order for a List of bonds.
 	 *

diff --git a/src/test/org/openscience/cdk/tools/manipulator/BondManipulatorTest.java b/src/test/org/openscience/cdk/tools/manipulator/BondManipulatorTest.java
@@ -163,6 +163,48 @@ public void testGetMaximumBondOrder_Iterator() {
 		Assert.assertEquals(IBond.Order.QUADRUPLE, BondManipulator.getMaximumBondOrder(bonds.iterator()));
 	}
 
+    @Test
+    public void testGetMaximumBondOrder_IBond_IBond() {
+		IBond bond1 = new Bond(); bond1.setOrder(IBond.Order.SINGLE);
+		IBond bond2 = new Bond(); bond2.setOrder(IBond.Order.QUADRUPLE);
+		Assert.assertEquals(IBond.Order.QUADRUPLE, BondManipulator.getMaximumBondOrder(bond1, bond2));
+	}
+
+    @Test
+    public void testGetMaximumBondOrder_IBond_IBond_Unset() {
+		IBond bond1 = new Bond(); bond1.setOrder(IBond.Order.UNSET);
+		IBond bond2 = new Bond(); bond2.setOrder(IBond.Order.DOUBLE);
+		Assert.assertEquals(IBond.Order.DOUBLE, BondManipulator.getMaximumBondOrder(bond1, bond2));
+	}
+
+    @Test
+    public void testGetMaximumBondOrder_Order_Order() {
+		Assert.assertEquals(
+			IBond.Order.QUADRUPLE,
+			BondManipulator.getMaximumBondOrder(IBond.Order.SINGLE, IBond.Order.QUADRUPLE)
+		);
+	}
+
+    @Test
+    public void testGetMaximumBondOrder_Order_Order_Single() {
+		Assert.assertEquals(
+			IBond.Order.SINGLE,
+			BondManipulator.getMaximumBondOrder(IBond.Order.SINGLE, IBond.Order.SINGLE)
+		);
+	}
+
+    @Test
+    public void testGetMaximumBondOrder_Order_Order_Unset() {
+		Assert.assertEquals(
+			IBond.Order.SINGLE,
+			BondManipulator.getMaximumBondOrder(IBond.Order.SINGLE, IBond.Order.UNSET)
+		);
+		Assert.assertEquals(
+			IBond.Order.SINGLE,
+			BondManipulator.getMaximumBondOrder(IBond.Order.UNSET, IBond.Order.SINGLE)
+		);
+	}
+
     @Test
     public void testGetMinimumBondOrder_List() {
 		List<IBond> bonds = new ArrayList<IBond>();