C# Class MetFragNET.Algorithm.FragmentationAlgorithm

ファイルを表示 Open project: NonlinearDynamics/MetFrag.NET Class Usage Examples

Public Methods

Method Description
FragmentationAlgorithm ( ImplicitHydrogenAdder hydrogenAdder, FragmentGenerator fragmentGenerator, HitsMatcher hitsMatcher ) : System.Threading
GenerateFragments ( IAtomContainer compound, string compoundId, CancellationToken isCancelled ) : ResultRow

Method Details

FragmentationAlgorithm() public method

public FragmentationAlgorithm ( ImplicitHydrogenAdder hydrogenAdder, FragmentGenerator fragmentGenerator, HitsMatcher hitsMatcher ) : System.Threading
hydrogenAdder ImplicitHydrogenAdder
fragmentGenerator FragmentGenerator
hitsMatcher HitsMatcher
return System.Threading

GenerateFragments() public method

public GenerateFragments ( IAtomContainer compound, string compoundId, CancellationToken isCancelled ) : ResultRow
compound IAtomContainer
compoundId string
isCancelled System.Threading.CancellationToken
return MetFragNET.Results.ResultRow