Exemplos de NCDK.Tools.Manipulator MoleculeSetManipulator.GetTotalCharge em C# (CSharp)

Exemplo n.º 1

        public void TestGetTotalCharge_IAtomContainerSet()
        {
            double charge = MoleculeSetManipulator.GetTotalCharge(som);

            Assert.AreEqual(-1.0, charge, 0.000001);
        }