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WIP: Protocol.validate API point #134

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WIP: Protocol.validate API point #134

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13 changes: 13 additions & 0 deletions gufe/protocols/protocol.py
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Original file line number Diff line number Diff line change
Expand Up @@ -85,6 +85,10 @@ class Protocol(GufeTokenizable):
- `_gather`
- `_default_settings`

Optionally, these methods can be overridden:

- `validate`

Attributes
----------
result_cls : type[ProtocolResult]
Expand Down Expand Up @@ -155,6 +159,15 @@ def default_settings(cls) -> "ProtocolSettings": # type: ignore
"""
return cls._default_settings()

def validate(self, stateA: ChemicalSystem, stateB: ChemicalSystem,
mapping: Optional[dict[str, ComponentMapping]],
extends: Optional[ProtocolDAGResult]) -> bool:
"""Check that a given input will be viable

Has the same arguments as `create`
"""
return True

@abc.abstractmethod
def _create(
self,
Expand Down