Exemplo n.º 1
0
        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));
        }
Exemplo n.º 2
0
        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));
        }