public void TestAtomType_String_String()
{
IAtomType at = new AtomType("C4", "C");
Assert.AreEqual("C", at.Symbol);
Assert.AreEqual("C4", at.AtomTypeName);
}
public void TestAtomType_IElement()
{
var element = ChemicalElement.C;
IAtomType at = new AtomType(element);
Assert.AreEqual("C", at.Symbol);
}
public void TestCompare_DiffBondOrderSum()
{
AtomType at1 = new AtomType("C");
AtomType at2 = new AtomType("C");
at1.BondOrderSum = 1.5;
at2.BondOrderSum = 2.0;
Assert.IsFalse(at1.Compare(at2));
}
public void TestCompare_BondOrderSum()
{
AtomType at1 = new AtomType("C");
AtomType at2 = new AtomType("C");
at1.BondOrderSum = 1.5;
at2.BondOrderSum = 1.5;
Assert.IsTrue(at1.Compare(at2));
}
public void TestCompare_DiffAtomTypeName()
{
AtomType at1 = new AtomType("C");
AtomType at2 = new AtomType("C");
at1.AtomTypeName = "C4";
at2.AtomTypeName = "C3";
Assert.IsFalse(at1.Compare(at2));
}
public void TestCompare_AtomTypeName()
{
AtomType at1 = new AtomType("C");
AtomType at2 = new AtomType("C");
at1.AtomTypeName = "C4";
at2.AtomTypeName = "C4";
Assert.IsTrue(at1.Compare(at2));
}