public void TestCage() { string expectedA = "[C]([C]([C]([C,4][C,3]([C,1]))[C]([C,5][C,3]))" + "[C]([C,4]([C]([C,2][C,1]))[C]([C,2]([C,0])[C,6]))" + "[C]([C,5]([C]([C,0][C,1]))[C,6]([C,0])))"; string expectedB = "[C]([C]([C]([C]([C,1]([C,0])[C,4])[C,5])[C,7]" + "([C,4]([C,3])))[C]([C]([C,3]([C,0])[C,6])[C,7])" + "[C]([C,5]([C]([C,2][C,1]))[C,6]([C,2]([C,0]))))"; IAtomContainer mol = AbstractSignatureTest.MakeCage(); string signature = this.CanonicalStringFromMolecule(mol); Assert.AreEqual(expectedA, signature); string fullSignature = FullStringFromMolecule(mol); string fullExpected = "8" + expectedA + " + 8" + expectedB; Assert.AreEqual(fullExpected, fullSignature); }