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]);
}