private void DoValidate() { var isotopes = BioMassCalc.DEFAULT_ABUNDANCES; var dictSymDist = _isotopeEnrichments.ToDictionary(e => e.IsotopeSymbol, e => e.CalcDistribution(isotopes)); // Make sure all heavy symbols used in Skyline are represented. foreach (string symbol in BioMassCalc.HeavySymbols.Where(symbol => !dictSymDist.ContainsKey(symbol))) { dictSymDist.Add(symbol, new IsotopeEnrichmentItem(symbol, 1.0).CalcDistribution(isotopes)); } IsotopeAbundances = BioMassCalc.AddHeavyNicknames(isotopes.SetAbundances(dictSymDist)); }