public void OddEvenElementPartitionTest()
{
IAtomContainer ac = MakeAtomContainer("CNCNCN");
Partition expected = Partition.FromString("0,2,4|1,3,5");
AtomRefinable refinable = new AtomRefinable(ac);
Partition elPartition = refinable.GetInitialPartition();
Assert.AreEqual(expected, elPartition);
}
public void DisorderedElementPartitionTest()
{
IAtomContainer ac = MakeAtomContainer("NNNNCCCCOOOO");
Partition expected = Partition.FromString("4,5,6,7|0,1,2,3|8,9,10,11");
AtomRefinable refinable = new AtomRefinable(ac);
Partition elPartition = refinable.GetInitialPartition();
Assert.AreEqual(expected, elPartition);
}
public void GetElementPartitionTest()
{
string acpString = "C0N1C2P3C4N5";
Partition expected = Partition.FromString("0,2,4|1,5|3");
IAtomContainer ac = AtomContainerPrinter.FromString(acpString, builder);
AtomRefinable refinable = new AtomRefinable(ac);
Partition elPartition = refinable.GetInitialPartition();
Assert.AreEqual(expected, elPartition);
}