ProtocolResult
#
- class gufe.protocols.protocol.ProtocolResult(**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
Attributes
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 #