Beispiel #1
0
        public void QuadrupleBond()
        {
            var mock_u = new Mock <IAtom>(); var u = mock_u.Object;
            var mock_v = new Mock <IAtom>(); var v = mock_v.Object;
            var b = new Bond(u, v, BondOrder.Quadruple);
            var o = new Dictionary <IAtom, int>()
            {
                [u] = 0,
                [v] = 1,
            };
            var c2g = new CDKToBeam();

            Assert.AreEqual(Beam.Bond.Quadruple.CreateEdge(0, 1), c2g.ToBeamEdge(b, o));
        }
Beispiel #2
0
        public void AromaticBond()
        {
            var mock_u = new Mock <IAtom>(); var u = mock_u.Object;
            var mock_v = new Mock <IAtom>(); var v = mock_v.Object;
            var b = new Bond(u, v)
            {
                IsAromatic = true
            };
            var o = new Dictionary <IAtom, int>()
            {
                [u] = 0,
                [v] = 1,
            };

            mock_u.SetupGet(n => n.IsAromatic).Returns(true);
            mock_v.SetupGet(n => n.IsAromatic).Returns(true);
            var c2g = new CDKToBeam();

            Assert.AreEqual(Beam.Bond.Aromatic.CreateEdge(0, 1), c2g.ToBeamEdge(b, o));
        }