Method | Description | |
---|---|---|
GetMolecularFormula ( IAtomContainer atomContainer ) : IMolecularFormula | ||
GetMonoisotopicMass ( IMolecularFormula formula ) : double | ||
GetMonoisotopicMass ( string formula ) : double | ||
GetString ( IMolecularFormula formula ) : string | ||
IsPossibleNeutralLoss ( double>.Dictionary |
||
ParseFormula ( IMolecularFormula formula ) : double>.Dictionary |
Method | Description | |
---|---|---|
ParseFormula ( string formula ) : double>.Dictionary |
public static GetMolecularFormula ( IAtomContainer atomContainer ) : IMolecularFormula | ||
atomContainer | IAtomContainer | |
return | IMolecularFormula |
public static GetMonoisotopicMass ( IMolecularFormula formula ) : double | ||
formula | IMolecularFormula | |
return | double |
public static GetMonoisotopicMass ( string formula ) : double | ||
formula | string | |
return | double |
public static GetString ( IMolecularFormula formula ) : string | ||
formula | IMolecularFormula | |
return | string |
public static IsPossibleNeutralLoss ( double>.Dictionary |
||
originalFormulaMap | double>.Dictionary | |
neutralLossFormula | IMolecularFormula | |
return | bool |
public static ParseFormula ( IMolecularFormula formula ) : double>.Dictionary |
||
formula | IMolecularFormula | |
return | double>.Dictionary |