C# 클래스 MetFragNET.Tools.MolecularFormulaTools

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공개 메소드들

메소드	설명
GetMolecularFormula ( IAtomContainer atomContainer ) : IMolecularFormula
GetMonoisotopicMass ( IMolecularFormula formula ) : double
GetMonoisotopicMass ( string formula ) : double
GetString ( IMolecularFormula formula ) : string
IsPossibleNeutralLoss ( double>.Dictionary originalFormulaMap, IMolecularFormula neutralLossFormula ) : bool
ParseFormula ( IMolecularFormula formula ) : double>.Dictionary

비공개 메소드들

메소드	설명
ParseFormula ( string formula ) : double>.Dictionary

메소드 상세

GetMolecularFormula() 공개 정적인 메소드

public static GetMolecularFormula ( IAtomContainer atomContainer ) : IMolecularFormula
atomContainer	IAtomContainer
리턴	IMolecularFormula

GetMonoisotopicMass() 공개 정적인 메소드

public static GetMonoisotopicMass ( IMolecularFormula formula ) : double
formula	IMolecularFormula
리턴	double

GetMonoisotopicMass() 공개 정적인 메소드

public static GetMonoisotopicMass ( string formula ) : double
formula	string
리턴	double

GetString() 공개 정적인 메소드

public static GetString ( IMolecularFormula formula ) : string
formula	IMolecularFormula
리턴	string

IsPossibleNeutralLoss() 공개 정적인 메소드

public static IsPossibleNeutralLoss ( double>.Dictionary originalFormulaMap, IMolecularFormula neutralLossFormula ) : bool
originalFormulaMap	double>.Dictionary
neutralLossFormula	IMolecularFormula
리턴	bool

ParseFormula() 공개 정적인 메소드

public static ParseFormula ( IMolecularFormula formula ) : double>.Dictionary
formula	IMolecularFormula
리턴	double>.Dictionary