// ReSharper restore StringLiteralTypo
public void TestComputeEmpiricalFormulaMassMethod1(string strEmpiricalFormula, double expectedMass)
{
var empiricalFormula = PeptideMassCalculator.GetEmpiricalFormulaComponents(strEmpiricalFormula);
var computedMass = PeptideMassCalculator.ComputeMonoisotopicMass(empiricalFormula);
var computedMassAlt = PeptideMassCalculator.ComputeMonoisotopicMass(empiricalFormula.ElementCounts, out _);
Console.WriteLine("{0,-30} is {1:F5}; expected {2:F5}", strEmpiricalFormula, computedMass, expectedMass);
Assert.AreEqual(computedMass, computedMassAlt, 1E-05, "The two overloads for ComputeMonoisotopicMass reported conflicting mass values");
Assert.AreEqual(expectedMass, computedMass, 0.0001, "Unexpected mass for the empirical formula");
}
