public void CharacteristicPolynomialTest()
        {
            var converter = new OBConversion();

            converter.SetInFormat("smi");
            var mol = new OBMol();

            converter.ReadString(mol, "CCC");
            var adjMat = new OBMolExtended(mol).AdjacencyMatrix;
            var cPoly  = mol.CharacteristicPolynomial(adjMat);

            Assert.AreEqual(1d, cPoly[0]);
            Assert.AreEqual(0d, cPoly[1]);
            Assert.AreEqual(-2d, cPoly[2]);
            Assert.AreEqual(0d, cPoly[3]);
        }