OEFastFPDatabaseParams

class OEFastFPDatabaseParams

This class represents the OEFastFPDatabaseParams class that can be used retrieve parameters from a binary fingerprint file that is generated with the OECreateFastFPDatabaseFile function.

See also

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.

IsInLittleEndian

bool IsInLittleEndian() const

Returns the endianess of the binary fingerprint file.

Note

Fast fingerprint search does not support endianness compatibility for performance reason. That means that a binary fingerprint file that has been generated in a little-endian computer cannot be search in a computer that uses the big-endian encoding.

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.