CSMSL.Examples.Examples.ChemicalFormulaExamples C# (CSharp) Method

        private static void ChemicalFormulaExamples()
        {
            Console.WriteLine("**Chemical Formula Examples**");

            // Simple chemical formula creation
            ChemicalFormula formula1 = new ChemicalFormula("C2H3NO");
            WriteFormulaToConsole(formula1);

            // Input order does not matter
            ChemicalFormula formula2 = new ChemicalFormula("NH3C2O");
            WriteFormulaToConsole(formula2);

            // Formulas are identicial if they have the exact same type of elements and count
            Console.WriteLine("Are {0} and {1} equivalent? {2}", formula1, formula2, formula1.Equals(formula2));

            // You can modify exisiting chemical formulas in many ways.
            // You can add a chemical formula to a chemical formula
            formula1.Add(formula2);
            WriteFormulaToConsole(formula1);
            Console.WriteLine("Are {0} and {1} equivalent? {2}", formula1, formula2, formula1.Equals(formula2));

            // You can completely remove an element from a chemical formula
            formula1.Remove("C");
            WriteFormulaToConsole(formula1);

            // Even negative values are possible if not physically possible
            formula1.Remove(formula2);
            WriteFormulaToConsole(formula1);

            // Implicit arithmetic is also possible (supports +, -, and *)
            ChemicalFormula formula3 = formula2 - formula1;
            WriteFormulaToConsole(formula3);
            ChemicalFormula formula4 = formula3 + formula1;
            WriteFormulaToConsole(formula4);
            ChemicalFormula formula5 = formula2*5;
            WriteFormulaToConsole(formula5);

            // Formulas consist of a dictionary of isotopes and count, and by default, the most common (abundant) isotope of an element
            // is included (i.e. Carbon 12 instead of Carbon 13). You can explicitly state that you want another isotope in a chemical formula
            // by this notation: <Element Symbol>{<Mass Number>} (e.g. C{13}, N{15}, etc..)

            formula1 = new ChemicalFormula("C2C{13}2H3NO");
            formula2 = new ChemicalFormula("C4H3NO");

            WriteFormulaToConsole(formula1);
            WriteFormulaToConsole(formula2);

            Console.WriteLine("Are {0} and {1} equivalent? {2}", formula1, formula2, formula1.Equals(formula2));

            // No need to specify the mass number of the most abundant isotope for an element
            formula3 = new ChemicalFormula("C{12}2C2H3NO");
            formula4 = new ChemicalFormula("C4H3NO");
            Console.WriteLine("Are {0} and {1} equivalent? {2}", formula3, formula4, formula3.Equals(formula4));
        }