OEGraphSim Classes

• OECreateFastFPDatabaseOptions
  • Constructors
  • GetFPType
  • GetNumProcessors
  • SetNumProcessors
  • SetTracer
• OEFastFPDatabaseParams
  • Constructors
  • GetFPTypeBase
  • GetMolDatabaseFilename
  • IsInLittleEndian
  • IsValid
  • NumFingerPrints
• OEFastFPDatabase
  • Constructors
  • GetAllScores
  • GetFingerPrint
  • GetFPTypeBase
  • GetHistogram
  • GetMemoryType
  • GetMemoryTypeString
  • GetMoleculeIndex
  • GetRawScores
  • GetScores
  • GetSortedScores
  • GetSparseMatrix
  • GetVariogram
  • IsValid
  • NumFingerPrints
  • SortedSearch
• OEFingerPrint
  • Constructors
  • operator=
  • operator==
  • operator!=
  • operator bool
  • GetFPTypeBase
  • SetFPTypeBase
• OEFPDatabase
  • Constructors
  • AddFP
  • ClearCutoff
  • GetCutoff
  • GetDescendingOrder
  • GetFPTypeBase
  • GetFingerPrints
  • GetScores
  • GetSortedScores
  • HasCutoff
  • NumFingerPrints
  • SetCutoff
  • SetDescendingOrder
  • SetSimFunc
• OEFPDatabaseOptions
  • Constructors
  • operator=
  • ClearCutoff
  • GetCutoff
  • GetDescendingOrder
  • GetLimit
  • GetSimFunc
  • GetNumProcessors
  • GetTverskyAlpha
  • GetTverskyBeta
  • HasCutoff
  • SetCutoff
  • SetDescendingOrder
  • SetLimit
  • SetSimFunc
  • SetNumProcessors
  • SetTverskyCoeffs
• OEFPHistogram
  • Constructors
  • AddSample
  • GetBinBoundaries
  • GetBinCenters
  • GetBinIdx
  • GetBinWidth
  • GetCounts
  • GetDensity
  • GetMax
  • GetMin
  • Mean
  • NumBins
  • NumSamples
  • Std
• OEFPPattern
  • Constructors
  • operator=
  • GetBit
  • GetSmarts
  • GetUnhashed
• OEFPTypeBase
  • Constructors
  • GetFPType
  • GetFPTypeString
  • GetFPVersion
  • GetFPVersionString
• OEFPTypeParams
  • Constructors
  • GetAtomTypes
  • GetBondTypes
  • GetFPType
  • GetMaxDistance
  • GetMinDistance
  • GetNumBits
  • GetVersion
  • IsValid
• OEFPVariogram
  • Constructors
  • AddSample
  • GetVariogram
• OESimFuncBase
  • Constructors
  • operator()
  • CreateCopy
  • GetSimTypeString
• OESimScore
  • Constructors
  • GetIdx
  • GetScore
• OESimScorePair
  • Constructors
  • GetIdxA
  • GetIdxB
  • GetScore
• OESimSearchResult
  • Constructor
  • GetSearchStatus
  • GetSortedScores
  • IsValid
  • NumSearched
  • NumTargets
• OETanimotoSim
  • Constructors
  • operator()
  • CreateCopy
  • GetSimTypeString
• OETverskySim
  • Constructors
  • operator()
  • CreateCopy
  • GetAlpha
  • GetBeta
  • GetSimTypeString