Beispiel #1
0
        public void TestPDBAtom_IElement()
        {
            var   element = ChemicalElement.R;
            IAtom a       = new PDBAtom(element);

            Assert.IsNotNull(a);
        }
Beispiel #2
0
        public void TestPDBAtom_String()
        {
            IPDBAtom a = new PDBAtom("C");

            Assert.AreEqual("C", a.Symbol);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.Point3D);
            Assert.IsNull(a.FractionalPoint3D);
        }
Beispiel #3
0
        public void TestPDBAtom_String_Point3d()
        {
            Vector3 point3d = new Vector3(1.0, 2.0, 3.0);

            IPDBAtom a = new PDBAtom("C", point3d);

            Assert.AreEqual("C", a.Symbol);
            Assert.AreEqual(point3d, a.Point3D);
            Assert.IsNull(a.Point2D);
            Assert.IsNull(a.FractionalPoint3D);
        }