Skip to content

Commit

Permalink
Fixed unit test: because the implementation creates an IMolecule obje…
Browse files Browse the repository at this point in the history
…ct, the original 'molecule' pointer does not get atoms, and the returned IMolecule object should be assigned to get a molecule with information

Change-Id: I480895ef8a0f308a279f80c869a6efb93c67cbee
  • Loading branch information
egonw committed Feb 19, 2012
1 parent eae7598 commit 8ff4584
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/test/org/openscience/cdk/io/MDLV2000ReaderTest.java
Expand Up @@ -926,10 +926,10 @@ public void testAtomParity() throws CDKException, IOException{
InputStream in = ClassLoader.getSystemResourceAsStream("data/mdl/mol_testAtomParity.mol");
MDLV2000Reader reader = new MDLV2000Reader(in);
IAtomContainer molecule = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class);
reader.read(molecule);
molecule = reader.read(molecule);
reader.close();


Assert.assertEquals(6, molecule.getAtomCount());
boolean chiralCentre = false;
IAtom[] atoms = AtomContainerManipulator.getAtomArray(molecule);
for (IAtom atom : atoms) {
Expand Down

0 comments on commit 8ff4584

Please sign in to comment.