@Override public IChemObject newTestObject() { return new ChemModel(); } });
@Override public Object clone() throws CloneNotSupportedException { ChemSequence clone = (ChemSequence) super.clone(); // clone the chemModels clone.chemModelCount = getChemModelCount(); clone.chemModels = new ChemModel[clone.chemModelCount]; for (int f = 0; f < clone.chemModelCount; f++) { clone.chemModels[f] = (ChemModel) ((ChemModel) chemModels[f]).clone(); } return clone; }
/** * Returns a String representation of the contents of this * IChemObject. * * @return String representation of content */ @Override public String toString() { StringBuffer buffer = new StringBuffer(64); buffer.append("ChemModel("); buffer.append(hashCode()); if (getMoleculeSet() != null) { buffer.append(", "); buffer.append(getMoleculeSet().toString()); } if (getCrystal() != null) { buffer.append(", "); buffer.append(getCrystal().toString()); } if (getReactionSet() != null) { buffer.append(", "); buffer.append(getReactionSet().toString()); } buffer.append(')'); return buffer.toString(); }
@Test public void testChemModel() { IChemModel chemModel = new ChemModel(); Assert.assertNotNull(chemModel); }
/** * Returns a String representation of the contents of this * IChemObject. * * @return String representation of content */ @Override public String toString() { StringBuffer buffer = new StringBuffer(64); buffer.append("ChemModel("); buffer.append(hashCode()); if (getMoleculeSet() != null) { buffer.append(", "); buffer.append(getMoleculeSet().toString()); } if (getCrystal() != null) { buffer.append(", "); buffer.append(getCrystal().toString()); } if (getReactionSet() != null) { buffer.append(", "); buffer.append(getReactionSet().toString()); } buffer.append(')'); return buffer.toString(); }
@Override public Object clone() throws CloneNotSupportedException { ChemSequence clone = (ChemSequence) super.clone(); // clone the chemModels clone.chemModelCount = getChemModelCount(); clone.chemModels = new ChemModel[clone.chemModelCount]; for (int f = 0; f < clone.chemModelCount; f++) { clone.chemModels[f] = (ChemModel) ((ChemModel) chemModels[f]).clone(); } return clone; }
@BeforeClass public static void setUp() { setTestObjectBuilder(new ITestObjectBuilder() { @Override public IChemObject newTestObject() { return new 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); }