Exact mass and natural abundance is not preserved on reading/writing …

…CML. As these attributes are boxed primitives they can be null and throw an exception when unboxed by 'assertEquals'. Before checking the values the attributes are not checked for nullity. Change-Id: If6b52cf6f22d23405b8f15045d8ca1dccf0bcd74 Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Aug 5, 2013 · a92d226 · a92d226
1 parent c29a6b4
commit a92d226
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/src/test/org/openscience/cdk/io/cml/CMLRoundTripTest.java b/src/test/org/openscience/cdk/io/cml/CMLRoundTripTest.java
@@ -304,6 +304,8 @@ public void testAtomStereoParity() throws Exception {
 
         Assert.assertEquals(1, roundTrippedMol.getAtomCount());
         IAtom roundTrippedAtom = roundTrippedMol.getAtom(0);
+        Assert.assertNotNull(atom.getExactMass());
+        Assert.assertNotNull(roundTrippedAtom.getExactMass());
         Assert.assertEquals(atom.getExactMass(), roundTrippedAtom.getExactMass(), 0.01);
     }
 
@@ -319,6 +321,8 @@ public void testAtomStereoParity() throws Exception {
 
         Assert.assertEquals(1, roundTrippedMol.getAtomCount());
         IAtom roundTrippedAtom = roundTrippedMol.getAtom(0);
+        Assert.assertNotNull(atom.getNaturalAbundance());
+        Assert.assertNotNull(roundTrippedAtom.getNaturalAbundance());
         Assert.assertEquals(atom.getNaturalAbundance(), roundTrippedAtom.getNaturalAbundance(), 0.01);
     }