@Override public IChemObject newTestObject() { return new ChemModel(); } });
@BeforeClass public static void setUp() { setTestObjectBuilder(new ITestObjectBuilder() { @Override public IChemObject newTestObject() { return new ChemModel(); } }); }
@Test public void testChemModel() { IChemModel chemModel = new ChemModel(); Assert.assertNotNull(chemModel); }
/** * @cdk.bug 3530861 */ @Test(expected = IllegalArgumentException.class) public void testGetRelevantAtomContainer_NonExistentAtom() { IChemModel model = new org.openscience.cdk.silent.ChemModel(); ChemModelManipulator.getRelevantAtomContainer(model, new org.openscience.cdk.silent.Atom()); }
@Test public void testChemModeID() throws Exception { StringWriter writer = new StringWriter(); IChemModel chemModel = new ChemModel(); chemModel.setID("cm0"); CMLWriter cmlWriter = new CMLWriter(writer); cmlWriter.write(chemModel); cmlWriter.close(); String cmlContent = writer.toString(); logger.debug("****************************** testReactionCustomization()"); logger.debug(cmlContent); logger.debug("******************************"); Assert.assertTrue(cmlContent.indexOf("<list convention=\"cdk:model\" id=\"cm0") != -1); }