ProtocolResult#

class gufe.protocols.protocol.ProtocolResult(n_protocol_dag_results: int = 0, **data)#

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.

n_protocol_dag_results

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#
property n_protocol_dag_results: int#