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:

• Add

• Finalize

• GetPackets

Constructors

OEDBBuffer() -> OEDBBuffer

Default constructor.

Add

Add(mol: OEMol) -> bool

Adds the specified fragment into the database.

Finalize

Finalize() -> bool

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

GetPackets

GetPackets() -> OEBroodDBPacketVector

Returns the data packets from the database.