public double GetMonoisotopicMass(AminoAcidFormulas aminoAcidFormulas) { return AminoAcidFormulas.ProtonMass + aminoAcidFormulas.GetMonoisotopicMass(Sequence) / Charge; }
public AminoAcidFormulas AddTracerToAminoAcidFormulas(AminoAcidFormulas aminoAcidFormulas) { if (AminoAcidSymbol.HasValue) { aminoAcidFormulas = aminoAcidFormulas.SetIsotopeAbundances( aminoAcidFormulas.IsotopeAbundances.SetAbundances(TraceeSymbol, TraceeMasses)); aminoAcidFormulas = aminoAcidFormulas.SetFormula(AminoAcidSymbol.Value, TraceeSymbol); } aminoAcidFormulas = aminoAcidFormulas.SetIsotopeAbundances( aminoAcidFormulas.IsotopeAbundances.SetAbundances(Name, TracerMasses)); return aminoAcidFormulas; }
public MassDistribution GetMassDistribution(AminoAcidFormulas aminoAcidFormulas) { return aminoAcidFormulas.GetMassDistribution(Sequence, Charge); }