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);
}