public void TestConvertToAtomContainerIRingSet()
{
IAtomContainer molecule = TestMoleculeFactory.MakeAlphaPinene();
IRingSet ringSet = Cycles.FindSSSR(molecule).ToRingSet();
IAtomContainer ac = RingPartitioner.ConvertToAtomContainer(ringSet);
Assert.AreEqual(7, ac.Atoms.Count);
Assert.AreEqual(8, ac.Bonds.Count);
}
public void TestPartitionIntoRings()
{
var azulene = TestMoleculeFactory.MakeAzulene();
var ringSet = Cycles.FindSSSR(azulene).ToRingSet();
var list = RingPartitioner.PartitionRings(ringSet);
Assert.AreEqual(1, list.Count);
var biphenyl = TestMoleculeFactory.MakeBiphenyl();
ringSet = Cycles.FindSSSR(biphenyl).ToRingSet();
list = RingPartitioner.PartitionRings(ringSet);
Assert.AreEqual(2, list.Count);
var spiro = TestMoleculeFactory.MakeSpiroRings();
ringSet = Cycles.FindSSSR(spiro).ToRingSet();
list = RingPartitioner.PartitionRings(ringSet);
Assert.AreEqual(1, list.Count);
}
