public void GetAromaticEdgeLabelTest() { IAtomContainer benzeneRing = builder.NewAtomContainer(); for (int i = 0; i < 6; i++) { benzeneRing.Atoms.Add(builder.NewAtom("C")); } for (int i = 0; i < 6; i++) { IAtom a = benzeneRing.Atoms[i]; IAtom b = benzeneRing.Atoms[(i + 1) % 6]; IBond bond = builder.NewBond(a, b); benzeneRing.Bonds.Add(bond); bond.IsAromatic = true; } AtomSignature signature = new AtomSignature(0, benzeneRing); for (int i = 0; i < 6; i++) { Assert.AreEqual("p", signature.GetEdgeLabel(i, (i + 1) % 6), "Failed for " + i); } }
public void GetEdgeLabelTest() { Assert.AreEqual("=", atomSignature.GetEdgeLabel(0, 1)); }