@Override public IChemObject newTestObject() { return new RingSet(); } });
@BeforeClass public static void setUp() { setTestObjectBuilder(new ITestObjectBuilder() { @Override public IChemObject newTestObject() { return new RingSet(); } }); }
@Test public void testRingSet() { IRingSet rs = new RingSet(); Assert.assertNotNull(rs); }
/** * Returns a vector of all rings that this atom is part of. * * @param atom The atom to be checked * @return A vector of all rings that this bond is part of */ @Override public IRingSet getRings(IAtom atom) { IRingSet rings = new RingSet(); IRing ring; for (int i = 0; i < getAtomContainerCount(); i++) { ring = (Ring) getAtomContainer(i); if (ring.contains(atom)) { rings.addAtomContainer(ring); } } return rings; }
/** * Returns a vector of all rings that this atom is part of. * * @param atom The atom to be checked * @return A vector of all rings that this bond is part of */ @Override public IRingSet getRings(IAtom atom) { IRingSet rings = new RingSet(); IRing ring; for (int i = 0; i < getAtomContainerCount(); i++) { ring = (Ring) getAtomContainer(i); if (ring.contains(atom)) { rings.addAtomContainer(ring); } } return rings; }
IRingSet ringset = new RingSet(); ringset.add(mset); model2.setRingSet(ringset);