BespokeFit documentation

openff-bespokefit

openff.bespokefit.executor.services.qcgenerator.models.QCGeneratorGETResponse

model openff.bespokefit.executor.services.qcgenerator.models.QCGeneratorGETResponse

Bases: Link

The object model returned by a GET request.

Fields

• error (Optional[str])

• links (Dict[str, str])

• result (Optional[Union[qcelemental.models.results.AtomicResult, qcelemental.models.procedures.OptimizationResult, qcelemental.models.procedures.TorsionDriveResult, qcelemental.models.common_models.FailedOperation]])

• status (Literal['waiting', 'running', 'errored', 'success'])

• type (Literal['torsion1d', 'optimization', 'hessian'])

field type: Literal['torsion1d', 'optimization', 'hessian'] [Required]

The type of QC calculation being run.

field status: Literal['waiting', 'running', 'errored', 'success'] = 'waiting'

The status of the QC calculation.

field result: Optional[Union[qcelemental.models.results.AtomicResult, qcelemental.models.procedures.OptimizationResult, qcelemental.models.procedures.TorsionDriveResult, qcelemental.models.common_models.FailedOperation]] [Required]

The result of the QC calculation if any was produced.

field error: Optional[str] [Required]

The error raised while running the QC calculation if any.

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

Links to resources associated with the model.