public void TestGetAminoAcidMass(char aminoAcidSymbol, double expectedMass)
{
var computedMass = mPeptideMassCalculator.GetAminoAcidMass(aminoAcidSymbol);
var empiricalFormula = new EmpiricalFormula();
empiricalFormula.AddElements(mPeptideMassCalculator.GetAminoAcidEmpiricalFormula(aminoAcidSymbol));
var computedMassAlt = PeptideMassCalculator.ComputeMonoisotopicMass(empiricalFormula);
Assert.AreEqual(expectedMass, computedMass, 0.0001, "Amino acid does not match the expected value");
Assert.AreEqual(computedMass, computedMassAlt, 1E-05, "GetAminoAcidMass and ComputeMonoisotopicMass do not agree on the mass for the amino acid");
}
