/// <summary>
/// </summary>
/// <param name="set">The collection of IAtomContainer objects</param>
/// <seealso cref="AtomContainerSetManipulator"/>
/// <returns>The total charge on the collection of molecules</returns>
public static double GetTotalCharge(IChemObjectSet <IAtomContainer> set)
{
return(AtomContainerSetManipulator.GetTotalCharge(set));
}
public void TestGetTotalCharge_IAtomContainerSet()
{
var charge = AtomContainerSetManipulator.GetTotalCharge(som);
Assert.AreEqual(-1.0, charge, 0.000001);
}