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Toolkits-2017.Jun.1-python
  • Docs »
  • GraphSim Toolkit 2.3.0 »
  • OEGraphSim Classes

OEGraphSim ClassesΒΆ

  • OECreateFastFPDatabaseOptions
    • Constructors
    • GetFPType
    • GetNumProcessors
    • SetNumProcessors
    • SetTracer
  • OEFastFPDatabaseParams
    • Constructors
    • GetFPTypeBase
    • GetMolDatabaseFilename
    • IsInLittleEndian
    • IsValid
    • NumFingerPrints
  • OEFastFPDatabase
    • Constructors
    • GetFPTypeBase
    • GetSortedScores
    • IsValid
    • NumFingerPrints
  • 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
    • GetTverskyAlpha
    • GetTverskyBeta
    • HasCutoff
    • SetCutoff
    • SetDescendingOrder
    • SetLimit
    • SetSimFunc
    • SetTverskyCoeffs
  • OEFPTypeBase
    • Constructors
    • GetFPType
    • GetFPTypeString
    • GetFPVersion
    • GetFPVersionString
  • OEFPTypeParams
    • Constructors
    • GetAtomTypes
    • GetBondTypes
    • GetFPType
    • GetMaxDistance
    • GetMinDistance
    • GetNumBits
    • GetVersion
    • IsValid
  • OESimFuncBase
    • Constructors
    • operator()
    • CreateCopy
    • GetSimTypeString
  • OESimScore
    • Constructors
    • GetIdx
    • GetScore
  • OETanimotoSim
    • Constructors
    • operator()
    • CreateCopy
    • GetSimTypeString
  • OETverskySim
    • Constructors
    • operator()
    • CreateCopy
    • GetAlpha
    • GetBeta
    • GetSimTypeString
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