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"); }