/// <summary>
        /// This method calculates the valence of an atom.
        /// </summary>
        /// <param name="atom">The <see cref="IAtom"/> for which the <see cref="Result"/> is requested</param>
        /// <returns>The valence of an atom</returns>
        public Result Calculate(IAtom atom)
        {
            int atomValence = AtomValenceTool.GetValence(atom);

            return(new Result(atomValence));
        }
Example #2
0
        private static int GetValenceElectronCount(IAtom atom)
        {
            var valency = AtomValenceTool.GetValence(atom);

            return(valency - atom.FormalCharge.Value);
        }