OEDBBuffer

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

class OEDBBuffer

This class defines objects representing a Brood database held in memory. This is suitable for generating a database from a small set of molecules, to be used on-the-fly, without storing it on disk.

The OEDBBuffer class defines the following public methods:

Constructors

OEDBBuffer()

Constructor.

Add

bool Add(OEChem::OEMCMolBase &mol)

Adds the specified fragment into the database.

Finalize

bool Finalize()

Finalizes the database. This method must be called before packets can be retrieved from the database.

GetPackets

const std::vector<OEBroodDBPacket> &GetPackets() const

Returns the data packets from the database.