Пример #1
0
        public void TestAtomContainer_int_int_int_int()
        {
            // create an empty container with predefined
            // array lengths
            var ac = new AtomContainer();

            Assert.AreEqual(0, ac.Atoms.Count);
            Assert.AreEqual(0, ac.Bonds.Count);
            Assert.AreEqual(0, ac.LonePairs.Count);
            Assert.AreEqual(0, ac.SingleElectrons.Count);
            Assert.AreEqual(0, ac.GetElectronContainers().Count());

            // test whether the ElectronContainer is correctly initialized
            ac.Bonds.Add(ac.Builder.NewBond(ac.Builder.NewAtom("C"),
                                            ac.Builder.NewAtom("C"), BondOrder.Double));
            ac.LonePairs.Add(ac.Builder.NewLonePair(ac.Builder.NewAtom("N")));
        }