C# (CSharp) Isotopologue примеры использования

Пример #1

Файл: Examples.cs Проект: yhayirsevertr/CSMSL

        private static void IsotopologueExample()
        {
            var iso1 = new Isotopologue("One", ModificationSites.K);

            iso1.AddModification(new ChemicalFormulaModification("C1", "Sample 1"));
            iso1.AddModification(new ChemicalFormulaModification("C2", "Sample 2"));

            var iso2 = new Isotopologue("Two", ModificationSites.R);

            iso2.AddModification(new ChemicalFormulaModification("C3", "Sample 3"));
            iso2.AddModification(Modification.Empty);

            Peptide peptide = new Peptide("DEREK");

            peptide.SetModification(iso1);
            peptide.SetModification(iso2);

            foreach (var iso in peptide.GenerateIsotopologues())
            {
                Console.WriteLine(iso + ", " + iso.MonoisotopicMass);
            }
        }

Пример #2

Файл: Examples.cs Проект: dbaileychess/CSMSL

        private static void IsotopologueExample()
        {
            var iso1 = new Isotopologue("One", ModificationSites.K);
            iso1.AddModification(new ChemicalFormulaModification("C1", "Sample 1"));
            iso1.AddModification(new ChemicalFormulaModification("C2", "Sample 2"));

            var iso2 = new Isotopologue("Two", ModificationSites.R);
            iso2.AddModification(new ChemicalFormulaModification("C3", "Sample 3"));
            iso2.AddModification(Modification.Empty);

            Peptide peptide = new Peptide("DEREK");
            peptide.SetModification(iso1);
            peptide.SetModification(iso2);

            foreach (var iso in peptide.GenerateIsotopologues())
            {
                Console.WriteLine(iso + ", " + iso.MonoisotopicMass);
            }
        }