BespokeFit documentation

openff-bespokefit

openff.bespokefit.executor.services.coordinator.models.CoordinatorGETResponse

model openff.bespokefit.executor.services.coordinator.models.CoordinatorGETResponse

Bases: Link

Fields

• links (Dict[str, str])

• results (Optional[openff.bespokefit.schema.results.BespokeOptimizationResults])

• smiles (str)

• stages (List[openff.bespokefit.executor.services.coordinator.models.CoordinatorGETStageStatus])

field smiles: str [Required]

The SMILES representation of the molecule that the bespoke parameters are being generated for.

field stages: List[CoordinatorGETStageStatus] [Required]

The stages of the bespoke optimization.

field results: Optional[BespokeOptimizationResults] = None

The output of the bespoke optimization.

field links: Dict[str, str] = {} (alias '_links')

Links to resources associated with the model.

classmethod from_task(task: CoordinatorTask)