C# (CSharp) NCDK.Signatures AbstractSignatureTest.MakeBridgedCyclobutane Beispiele

Beispiel #1

        public void TestBridgedCycloButane()
        {
            string         expected  = "[C]([C]([C,0])[C]([C,0])[C,0])";
            IAtomContainer mol       = AbstractSignatureTest.MakeBridgedCyclobutane();
            string         signature = this.CanonicalStringFromMolecule(mol);

            Assert.AreEqual(expected, signature);
        }