public void TestCompare_NullHybridization()
{
SimpleAtomComparator comparator = new SimpleAtomComparator();
IAtom a1 = builder.NewAtom("C");
IAtom a2 = builder.NewAtom("C");
Assert.AreEqual(0, comparator.Compare(a1, a2), "Null hybridzation should be equals");
}
public void TestCompare_DifferentSymbol()
{
SimpleAtomComparator comparator = new SimpleAtomComparator();
IAtom a1 = builder.NewAtom("C");
IAtom a2 = builder.NewAtom("O");
// can't do less than correctly without hamcrest?
Assert.IsTrue(comparator.Compare(a1, a2) < 0, "oxygen should rank above carbon");
Assert.IsTrue(comparator.Compare(a2, a1) > 0, "oxygen should rank above carbon (inverse)");
}
public void TestCompare_DifferentHybridization()
{
SimpleAtomComparator comparator = new SimpleAtomComparator();
IAtom a1 = builder.NewAtom("C");
IAtom a2 = builder.NewAtom("C");
a1.Hybridization = Hybridization.SP2;
a2.Hybridization = Hybridization.SP3;
Assert.AreEqual(-1, comparator.Compare(a1, a2), "Atom 2 should have priority");
}
public void TestCompare_SameHybridization()
{
SimpleAtomComparator comparator = new SimpleAtomComparator();
IAtom a1 = builder.NewAtom("C");
IAtom a2 = builder.NewAtom("C");
a1.Hybridization = Hybridization.SP3;
a2.Hybridization = Hybridization.SP3;
Assert.AreEqual(0, comparator.Compare(a1, a2), "Same hybridzation should be equals");
}