Пример #1
0
        public void TestPseudoAtom()
        {
            IPseudoAtom a = new PseudoAtom();

            Assert.AreEqual("R", a.Symbol);
            Assert.IsNull(a.Point3D);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.FractionalPoint3D);
        }
Пример #2
0
        public override void TestPseudoAtom_IAtom()
        {
            IAtom       element = NewChemObject().Builder.NewAtom("C");
            IPseudoAtom a       = new PseudoAtom(element);

            Assert.AreEqual("R", a.Symbol);
            Assert.IsNull(a.Point3D);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.FractionalPoint3D);
        }
Пример #3
0
        public void TestPseudoAtom_IElement()
        {
            var         element = ChemicalElement.R;
            IPseudoAtom a       = new PseudoAtom(element);

            Assert.AreEqual("R", a.Symbol);
            Assert.IsNull(a.Point3D);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.FractionalPoint3D);
        }
Пример #4
0
        public void TestPseudoAtom_String()
        {
            string      label = "Arg255";
            IPseudoAtom a     = new PseudoAtom(label);

            Assert.AreEqual("R", a.Symbol);
            Assert.AreEqual(label, a.Label);
            Assert.IsNull(a.Point3D);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.FractionalPoint3D);
        }
Пример #5
0
        public void TestPseudoAtom_String_Point3d()
        {
            Vector3     point = new Vector3(1.0, 2.0, 3.0);
            string      label = "Arg255";
            IPseudoAtom a     = new PseudoAtom(label, point);

            Assert.AreEqual("R", a.Symbol);
            Assert.AreEqual(label, a.Label);
            Assert.AreEqual(point, a.Point3D);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.FractionalPoint3D);
        }