public int GetMostAbundantIsotopeZeroBasedIndex() { if (_isotopomerEnvelop == null) { _isotopomerEnvelop = Averagine.GetIsotopomerEnvelopeFromNominalMass(NominalMass); } return(_isotopomerEnvelop.MostAbundantIsotopeIndex); }
public double[] GetIsotopomerEnvelopeRelativeIntensities() { if (_isotopomerEnvelop == null) { _isotopomerEnvelop = Averagine.GetIsotopomerEnvelopeFromNominalMass(NominalMass); } return(_isotopomerEnvelop.Envolope); }
public IsotopomerEnvelope GetIsotopomerEnvelope() { return(_isotopomerEnvelop ?? (_isotopomerEnvelop = Averagine.GetIsotopomerEnvelopeFromNominalMass(NominalMass))); }
static Averagine() { DefaultAveragine = new Averagine(); }