You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
~/anaconda3/envs/polymetrizer/lib/python3.9/site-packages/openff/evaluator/workflow/workflow.py in generate_default_metadata(physical_property, force_field_path, parameter_gradient_keys, target_uncertainty)
684 # Find only those gradient keys which will actually be relevant to the
685 # property of interest
--> 686 relevant_gradient_keys = Workflow._find_relevant_gradient_keys(
687 physical_property.substance, force_field_path, parameter_gradient_keys
688 )
~/anaconda3/envs/polymetrizer/lib/python3.9/site-packages/openff/evaluator/workflow/workflow.py in _find_relevant_gradient_keys(substance, force_field_path, parameter_gradient_keys)
568
569 # noinspection PyTypeChecker
--> 570 if parameter_gradient_keys == UNDEFINED or len(parameter_gradient_keys) == 0:
571 return []
572
TypeError: object of type 'NoneType' has no len()
Ideally default values for functions should be ones that "just work". I'd suggest passing in parameter_gradient_keys=UNDEFINED.
The text was updated successfully, but these errors were encountered:
In
generate_default_metadata
, the defaultparameter_gradient_keys=None,
results in an error.openff-evaluator/openff/evaluator/workflow/workflow.py
Lines 621 to 627 in 64d7440
Ideally default values for functions should be ones that "just work". I'd suggest passing in
parameter_gradient_keys=UNDEFINED
.The text was updated successfully, but these errors were encountered: