public void TestPDBAtom_IElement() { var element = ChemicalElement.R; IAtom a = new PDBAtom(element); Assert.IsNotNull(a); }
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); }
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); }