/** * A unit test for JUnit * *@exception Exception Description of the Exception */ @Test public void testResolveOverlap3() throws Exception { logger.debug("Test case with bond overlap"); String filename = "data/cml/overlaptest3.cml"; InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename); CMLReader reader = new CMLReader(ins); IChemFile chemFile = (IChemFile) reader.read(new ChemFile()); IAtomContainer atomContainer = (IAtomContainer) ChemFileManipulator.getAllAtomContainers(chemFile).get(0); //MoleculeViewer2D.display(new AtomContainer(atomContainer), false); double score = new OverlapResolver().getBondOverlapScore(atomContainer, new Vector()); Assert.assertTrue(score > 0); logger.debug("End of test case with bond overlap"); }