OEDBWriter

Attention

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

class OEDBWriter

This class defines an interface for writing a Brood database to disk.

The OEDBWriter class defines the following public methods:

Finish
Init
Write

Constructors

OEDBWriter()

Default constructor.

Finish

bool Finish()

Closes database files and finalizes the database. This method must be called to produce a valid database.

Init

bool Init(const std::string& prefix, unsigned max = 1000)

Initializes the database for writing. The prefix parameter specifies the database folder and file prefix, and maxBufferSize specifies the maximum in-memory buffer size before flushing to disk.

Write

bool Write(OEChem::OEMCMolBase& mol)
Writes the specified fragment to the database.