Examples with IChemModel org.openscience.cdk.interfaces.IChemModel used on opensource projects

Example 96 with IChemModel

use of org.openscience.cdk.interfaces.IChemModel in project cdk by cdk.

the class AbstractChemModelTest method testStateChanged_EventPropagation_Crystal.

@Test
public void testStateChanged_EventPropagation_Crystal() {
    ChemObjectListenerImpl listener = new ChemObjectListenerImpl();
    IChemModel chemObject = (IChemModel) newChemObject();
    chemObject.addListener(listener);
    ICrystal crystal = chemObject.getBuilder().newInstance(ICrystal.class);
    chemObject.setCrystal(crystal);
    Assert.assertTrue(listener.changed);
    // reset the listener
    listener.reset();
    Assert.assertFalse(listener.changed);
    // changing the set should trigger a change event in the IChemModel
    crystal.add(chemObject.getBuilder().newInstance(IAtomContainer.class));
    Assert.assertTrue(listener.changed);
}

Example 97 with IChemModel

use of org.openscience.cdk.interfaces.IChemModel in project cdk by cdk.

the class AbstractChemModelTest method testIsEmpty_Crystal.

@Test
public void testIsEmpty_Crystal() {
    IChemModel model = (IChemModel) newChemObject();
    IChemObjectBuilder builder = model.getBuilder();
    ICrystal crystal = builder.newInstance(ICrystal.class);
    model.setCrystal(crystal);
    Assert.assertTrue(model.isEmpty());
    crystal.addAtom(builder.newInstance(IAtom.class, "C"));
    Assert.assertFalse(model.isEmpty());
    model.setCrystal(null);
    Assert.assertTrue(model.isEmpty());
}

Example 98 with IChemModel

use of org.openscience.cdk.interfaces.IChemModel in project cdk by cdk.

the class AbstractChemModelTest method testIsEmpty_RingSet.

@Test
public void testIsEmpty_RingSet() {
    IChemModel model = (IChemModel) newChemObject();
    IChemObjectBuilder builder = model.getBuilder();
    IAtomContainer container = builder.newInstance(IAtomContainer.class);
    IRingSet ringset = builder.newInstance(IRingSet.class);
    Assert.assertTrue(model.isEmpty());
    model.setRingSet(ringset);
    Assert.assertTrue(model.isEmpty());
    ringset.addAtomContainer(container);
    Assert.assertFalse(model.isEmpty());
    model.setRingSet(null);
    Assert.assertTrue(model.isEmpty());
}

Example 99 with IChemModel

use of org.openscience.cdk.interfaces.IChemModel in project cdk by cdk.

the class AbstractChemModelTest method testSetMoleculeSet_IAtomContainerSet.

@Test
public void testSetMoleculeSet_IAtomContainerSet() {
    IChemModel chemModel = (IChemModel) newChemObject();
    IAtomContainerSet crystal = chemModel.getBuilder().newInstance(IAtomContainerSet.class);
    chemModel.setMoleculeSet(crystal);
    Assert.assertEquals(crystal, chemModel.getMoleculeSet());
}

Example 100 with IChemModel

use of org.openscience.cdk.interfaces.IChemModel in project cdk by cdk.

the class AbstractChemSequenceTest method testGetChemModel_int.

@Test
public void testGetChemModel_int() {
    IChemSequence cs = (IChemSequence) newChemObject();
    cs.addChemModel(cs.getBuilder().newInstance(IChemModel.class));
    IChemModel second = cs.getBuilder().newInstance(IChemModel.class);
    cs.addChemModel(second);
    cs.addChemModel(cs.getBuilder().newInstance(IChemModel.class));
    Assert.assertEquals(second, cs.getChemModel(1));
}