OEBroodDBPacket

Attention

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

class OEBroodDBPacket

This class defines objects that hold a chunk of fragment data from a Brood database. A packet contains additional metadata that can be used to check relevance for bioisosteric replacement of a specific OEBroodQuery.

The OEBroodDBPacket class defines the following public methods:

• GetIdx

• GetFragCount

• GetFrags

• IsValid

• Load

• ToRecord

Constructors

OEBroodDBPacket() -> OEBroodDBPacket
OEBroodDBPacket(arg2: OEBroodDBPacket) -> OEBroodDBPacket

Default and copy constructors.

GetIdx

GetIdx() -> int

Returns the index corresponding to database storage.

GetFragCount

GetFragCount() -> int

Returns the number of fragments contained in the packet.

GetFrags

GetFrags() -> Iterable[OEMol]

Returns fragments that are contained in the packet.

IsValid

IsValid(filter: OEBroodDBFilter) -> bool

Returns whether packet contents are relevant for the OEBroodQuery associated with the OEBroodDBFilter.

Load

Load(arg2: OERecord) -> bool

Loads packet contents from an OERecord.

ToRecord

ToRecord(arg2: OERecord) -> bool

Saves packet contents into an OERecord.