"""
An API for registering new workflow protocols.
Attributes
----------
registered_workflow_protocols: dict of str and type of Protocol
The workflow protocols which have been registered as being
available to use in property estimations.
"""
registered_workflow_protocols = {}
[docs]def register_workflow_protocol(protocol_class):
"""Registers a class as being a protocol which may be included
in workflows.
"""
from openff.evaluator.workflow.protocols import Protocol
assert issubclass(protocol_class, Protocol)
if protocol_class.__name__ in registered_workflow_protocols:
raise ValueError(f"The {protocol_class} protocol is already registered.")
registered_workflow_protocols[protocol_class.__name__] = protocol_class
[docs]def workflow_protocol():
"""A decorator which registers a class as being a protocol
which may be included in workflows.
"""
def decorator(cls):
register_workflow_protocol(cls)
return cls
return decorator