OEFastFPDatabaseParams

class OEFastFPDatabaseParams

Stores parameters retrieved from a binary fingerprint database file generated with the OECreateFastFPDatabaseFile function.

See also

• OECreateFastFPDatabaseFile function

Constructors

OEFastFPDatabaseParams() -> OEFastFPDatabaseParams
OEFastFPDatabaseParams(fpdbfname: str) -> OEFastFPDatabaseParams

Constructor that parses the header of the given fingerprint file.

GetFPTypeBase

GetFPTypeBase() -> OEFPTypeBase

Returns the type of fingerprints stored in the file.

See also

OEFPTypeBase class

GetMolDatabaseFilename

GetMolDatabaseFilename() -> str

Returns the name of the molecule file from which the fingerprint file has been generated.

IsValid

IsValid() -> bool

Returns whether the header of the fingerprint file can be successfully parsed.

NumFingerPrints

NumFingerPrints() -> int

Returns the number of fingerprints stored in the fingerprint file.