OECreateFastFPDatabaseOptions

class OECreateFastFPDatabaseOptions

Encapsulates the options that control how the binary fingerprint database file is generated when calling the OECreateFastFPDatabaseFile function.

See also

OECreateFastFPDatabaseFile function
Example code in Generating fingerprint file for fast fingerprint search section

Constructors

OECreateFastFPDatabaseOptions(fptype: OEFPTypeBase) -> OECreateFastFPDatabaseOptions

Constructs an OECreateFastFPDatabaseOptions object with the given fingerprints type.

See also

OEFPTypeBase class

Note

GraphSim TK currently only supports the popcount search method for fingerprints with the size of multiple of 256. This means that the OEFPType_MACCS166 fingerprint type is currently not supported. When using other custom fingerprint types (see User-defined Fingerprint section) the size of the fingerprint must be a multiple of 256 in order to be able to search it with the popcount method.

GetFPType

GetFPType() -> OEFPTypeBase

Returns the fingerprint type in which the OECreateFastFPDatabaseOptions was constructed.

See also

OEFPTypeBase class

GetNumProcessors

GetNumProcessors() -> int

Returns the number of threads that are used to generate fingerprints when calling the OECreateFastFPDatabaseFile function.

See also

OECreateFastFPDatabaseOptions.SetNumProcessors method

SetNumProcessors

SetNumProcessors(nrps: int) -> None

Sets the number of threads that are used to generate fingerprints when calling the OECreateFastFPDatabaseFile function. When set to 0, the number of processors used will be the number returned by the OEGetNumProcessors function.

SetTracer

SetTracer(dots: OEDots) -> None

Sets a tracer that can be used to show the progress of fingerprint generation.

See also

OEDots class in the OEChem TK manual