OEFastFPDatabaseParams

class OEFastFPDatabaseParams

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

See also

• OECreateFastFPDatabaseFile function

Constructors

OEFastFPDatabaseParams(const std::string& fpdbfname)

Constructor that parses the header of the given fingerprint file.

GetFPTypeBase

const OEFPTypeBase* GetFPTypeBase() const

Returns the type of fingerprints stored in the file.

See also

OEFPTypeBase class

GetMolDatabaseFilename

const std::string& GetMolDatabaseFilename() const

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

IsValid

bool IsValid() const

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

NumFingerPrints

size_t NumFingerPrints() const

Returns the number of fingerprints stored in the fingerprint file.