Exemplo n.º 1
0
        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));
        }