public void CheckParameters(SignatureQuotientGraph qGraph, int expectedVertexCount, int expectedEdgeCount,
int expectedLoopEdgeCount)
{
Assert.AreEqual(expectedVertexCount, qGraph.GetVertexCount());
Assert.AreEqual(expectedEdgeCount, qGraph.GetEdgeCount());
Assert.AreEqual(expectedLoopEdgeCount, qGraph.NumberOfLoopEdges());
}
public void NapthaleneWithDoubleBondsAndHydrogenHeightTest()
{
IAtomContainer napthalene = builder.NewAtomContainer();
for (int i = 0; i < 10; i++)
{
napthalene.Atoms.Add(builder.NewAtom("C"));
}
napthalene.AddBond(napthalene.Atoms[0], napthalene.Atoms[1], BondOrder.Single);
napthalene.AddBond(napthalene.Atoms[0], napthalene.Atoms[5], BondOrder.Double);
napthalene.AddBond(napthalene.Atoms[1], napthalene.Atoms[2], BondOrder.Double);
napthalene.AddBond(napthalene.Atoms[1], napthalene.Atoms[6], BondOrder.Single);
napthalene.AddBond(napthalene.Atoms[2], napthalene.Atoms[3], BondOrder.Single);
napthalene.AddBond(napthalene.Atoms[2], napthalene.Atoms[9], BondOrder.Single);
napthalene.AddBond(napthalene.Atoms[3], napthalene.Atoms[4], BondOrder.Double);
napthalene.AddBond(napthalene.Atoms[4], napthalene.Atoms[5], BondOrder.Single);
napthalene.AddBond(napthalene.Atoms[6], napthalene.Atoms[7], BondOrder.Double);
napthalene.AddBond(napthalene.Atoms[7], napthalene.Atoms[8], BondOrder.Single);
napthalene.AddBond(napthalene.Atoms[8], napthalene.Atoms[9], BondOrder.Double);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[0], napthalene.Atoms[10], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[3], napthalene.Atoms[11], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[4], napthalene.Atoms[12], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[5], napthalene.Atoms[13], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[6], napthalene.Atoms[14], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[7], napthalene.Atoms[15], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[8], napthalene.Atoms[16], BondOrder.Single);
napthalene.Atoms.Add(builder.NewAtom("H"));
napthalene.AddBond(napthalene.Atoms[9], napthalene.Atoms[17], BondOrder.Single);
int height = 2;
SignatureQuotientGraph mqg = new SignatureQuotientGraph(napthalene, height);
Assert.AreEqual(4, mqg.GetVertexCount());
Assert.AreEqual(6, mqg.GetEdgeCount());
Assert.AreEqual(2, mqg.NumberOfLoopEdges());
}