C# Class MetFragNET.Spectra.FragmentPeakAssigner

Afficher le fichier Open project: NonlinearDynamics/MetFrag.NET Class Usage Examples

Méthodes publiques

Méthode Description
AssignFragmentPeak ( IList fragments, IEnumerable peakList, double mzabs, double mzppm ) : void

Private Methods

Méthode Description
GetMolecularFormula ( IAtomContainer ac ) : IMolecularFormula
GetMolecularFormulaAsString ( IAtomContainer ac ) : string
GetNeutralChange ( IChemObject ac, int hydrogensAdded ) : string
MatchByMass ( IAtomContainer ac, double peak, double mzabs, double mzppm, double &matchedMass, double &hydrogenPenalty, int &hydrogensAdded ) : bool

Method Details

AssignFragmentPeak() public méthode

public AssignFragmentPeak ( IList fragments, IEnumerable peakList, double mzabs, double mzppm ) : void
fragments IList
peakList IEnumerable
mzabs double
mzppm double
Résultat void