Correction of the test results. Two identical isotopes but initiated …

…twice are not the same object isotope even they are the same chemitry isotope.

git-svn-id: https://cdk.svn.sourceforge.net/svnroot/cdk/cdk/branches/cdk-1.2.x@13220 eb4e18e3-b210-0410-a6ab-dec725e4b171

src/test/org/openscience/cdk/tools/manipulator/MolecularFormulaManipulatorTest.java

@@ -494,6 +494,19 @@ public void testGetTotalNaturalAbundance_IMolecularFormula3() throws Exception{
         formula2.addIsotope(br1);
         formula2.addIsotope(br2);
 
+        Assert.assertEquals(2,formula2.getIsotopeCount());
+        double totalAbudance = MolecularFormulaManipulator.getTotalNaturalAbundance(formula2);
+
+        Assert.assertEquals(0.25694761,totalAbudance,0.000001);
+    }
+    @Test 
+    public void testGetTotalNaturalAbundance_IMolecularFormula4() throws Exception{
+        IMolecularFormula formula2 = new MolecularFormula();
+		IIsotope br1 = builder.newIsotope("Br");
+    	br1.setNaturalAbundance(50.69);
+        formula2.addIsotope(br1);
+        formula2.addIsotope(br1);
+
         Assert.assertEquals(1,formula2.getIsotopeCount());
         double totalAbudance = MolecularFormulaManipulator.getTotalNaturalAbundance(formula2);