C# 클래스 MetFragNET.Spectra.FragmentPeakAssigner

파일 보기 프로젝트 열기: NonlinearDynamics/MetFrag.NET 1 사용 예제들

공개 메소드들

메소드 설명
AssignFragmentPeak ( IList fragments, IEnumerable peakList, double mzabs, double mzppm ) : void

비공개 메소드들

메소드 설명
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

메소드 상세

AssignFragmentPeak() 공개 메소드

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