ProtocolResult

class openfe.protocols.ProtocolResult(**data)

Bases: GufeTokenizable

Container for all results for a single Transformation.

Contains a collection of ProtocolDAGResult instances. This is an abstract base class; individual Protocol implementations should have a corresponding subclass of ProtocolResult implemented as well.

The following methods should be implemented in any subclass: - get_estimate - get_uncertainty

Methods

get_estimate
get_uncertainty

Attributes

data	Aggregated data contents from multiple ProtocolDAGResult instances.

property data: dict[str, Any]

Aggregated data contents from multiple ProtocolDAGResult instances.

The structure of this data is specific to the Protocol subclass each ProtocolResult subclass corresponds to.

abstract get_estimate() → Quantity

abstract get_uncertainty() → Quantity