BespokeFit documentation

openff-bespokefit

openff.bespokefit.optimizers.register_optimizer

openff.bespokefit.optimizers.register_optimizer(optimizer: Type[BaseOptimizer], replace: bool = False) → None

Register a new valid optimizer with bespokefit.

Parameters

• optimizer (BaseOptimizer) – The optimizer class that should be registered.

• replace (bool) – If the optimizer should replace another optimizer registered with the same name.

Raises

OptimizerError – If the optimizer is already registered or if the optimizer object is not compatible.