public void TestCompare_Identity() { ILigand ligand = new Ligand(molecule, new VisitedAtoms(), molecule.Atoms[1], molecule.Atoms[0]); ISequenceSubRule <ILigand> rule = new AtomicNumberRule(); Assert.AreEqual(0, rule.Compare(ligand, ligand)); }
public void TestImplicitHydrogen() { ILigand ligand1 = new ImplicitHydrogenLigand(molecule, new VisitedAtoms(), molecule.Atoms[1]); ILigand ligand2 = new Ligand(molecule, new VisitedAtoms(), molecule.Atoms[1], molecule.Atoms[3]); ISequenceSubRule <ILigand> rule = new AtomicNumberRule(); Assert.AreEqual(-1, rule.Compare(ligand1, ligand2)); Assert.AreEqual(1, rule.Compare(ligand2, ligand1)); }