public void AromaticBenzene()
{
Graph g = new Graph(6);
g.AddAtom(AtomImpl.AromaticSubset.Carbon);
g.AddAtom(AtomImpl.AromaticSubset.Carbon);
g.AddAtom(AtomImpl.AromaticSubset.Carbon);
g.AddAtom(AtomImpl.AromaticSubset.Carbon);
g.AddAtom(AtomImpl.AromaticSubset.Carbon);
g.AddAtom(AtomImpl.AromaticSubset.Carbon);
g.AddEdge(new Edge(0, 1, Bond.Implicit));
g.AddEdge(new Edge(1, 2, Bond.Implicit));
g.AddEdge(new Edge(2, 3, Bond.Implicit));
g.AddEdge(new Edge(3, 4, Bond.Implicit));
g.AddEdge(new Edge(4, 5, Bond.Implicit));
g.AddEdge(new Edge(5, 0, Bond.Implicit));
Graph h = new ImplicitToExplicit().Apply(g);
Assert.AreNotSame(h, g);
for (int u = 0; u < h.Order; u++)
{
foreach (var e in h.GetEdges(u))
{
Assert.AreEqual(Bond.Aromatic, e.Bond);
}
}
}
public void KekuleBenzene()
{
Graph g = new Graph(6);
g.AddAtom(AtomImpl.AliphaticSubset.Carbon);
g.AddAtom(AtomImpl.AliphaticSubset.Carbon);
g.AddAtom(AtomImpl.AliphaticSubset.Carbon);
g.AddAtom(AtomImpl.AliphaticSubset.Carbon);
g.AddAtom(AtomImpl.AliphaticSubset.Carbon);
g.AddAtom(AtomImpl.AliphaticSubset.Carbon);
g.AddEdge(new Edge(0, 1, Bond.Implicit));
g.AddEdge(new Edge(1, 2, Bond.Double));
g.AddEdge(new Edge(2, 3, Bond.Implicit));
g.AddEdge(new Edge(3, 4, Bond.Double));
g.AddEdge(new Edge(4, 5, Bond.Implicit));
g.AddEdge(new Edge(5, 0, Bond.Double));
Graph h = new ImplicitToExplicit().Apply(g);
Assert.AreNotSame(h, g);
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
new Edge(0, 1, Bond.Single),
new Edge(0, 5, Bond.Double)
},
h.GetEdges(0)));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
new Edge(1, 0, Bond.Single),
new Edge(1, 2, Bond.Double)
},
h.GetEdges(1)));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
new Edge(2, 1, Bond.Double),
new Edge(2, 3, Bond.Single)
},
h.GetEdges(2)));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
new Edge(3, 2, Bond.Single),
new Edge(3, 4, Bond.Double)
},
h.GetEdges(3)));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
new Edge(4, 3, Bond.Double),
new Edge(4, 5, Bond.Single)
},
h.GetEdges(4)));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
new Edge(5, 0, Bond.Double),
new Edge(5, 4, Bond.Single)
},
h.GetEdges(5)));
}