C# (CSharp) ChemicalFormula.RemoveIsotopesOf示例

示例#1

        public void RemoveIsotopeCompletelyFromFromula()
        {
            ChemicalFormula formulaA = new ChemicalFormula("C2H3NO");
            ChemicalFormula formulaB = new ChemicalFormula("C2NO");

            formulaA.RemoveIsotopesOf(PeriodicTable.GetElement("H"));

            Assert.AreEqual(formulaA, formulaB);
        }

示例#2

        public void RemoveElementCompletelyFromFromulaBySymbol()
        {
            ChemicalFormula formulaA = new ChemicalFormula("C2H3NO");
            ChemicalFormula formulaB = new ChemicalFormula("C2NO");

            formulaA.RemoveIsotopesOf("H");

            Assert.AreEqual(formulaB, formulaA);
        }

示例#3

文件： TestChemicalFormula.cs 项目： cameyer6/mzLib

        public static void RemoveElementCompletelyFromFromula()
        {
            ChemicalFormula formulaA = ChemicalFormula.ParseFormula("C2H3NO");
            ChemicalFormula formulaB = ChemicalFormula.ParseFormula("C2NO");

            formulaA.RemoveIsotopesOf(PeriodicTable.GetElement("H"));

            Assert.AreEqual(formulaB, formulaA);
        }

示例#4

        public void RemoveElementCompletelyFromFromulaWithHeavyIsotope()
        {
            ChemicalFormula formulaA = new ChemicalFormula("C2C{13}H3NO");
            ChemicalFormula formulaB = new ChemicalFormula("H3NO");

            formulaA.RemoveIsotopesOf("C");

            Assert.AreEqual(formulaA, formulaB);
            Assert.AreEqual(formulaA.MonoisotopicMass, formulaB.MonoisotopicMass);
        }