polymerist.mdtools.openmmtools.serialization.state ================================================== .. py:module:: polymerist.mdtools.openmmtools.serialization.state .. autoapi-nested-parse:: For handling serialization of OpenMM States Attributes ---------- .. autoapisummary:: polymerist.mdtools.openmmtools.serialization.state.LOGGER polymerist.mdtools.openmmtools.serialization.state.StateLike polymerist.mdtools.openmmtools.serialization.state.DEFAULT_STATE_PROPS Functions --------- .. autoapisummary:: polymerist.mdtools.openmmtools.serialization.state.load_state_flexible polymerist.mdtools.openmmtools.serialization.state.serialize_state_from_context polymerist.mdtools.openmmtools.serialization.state.apply_state_to_context Module Contents --------------- .. py:data:: LOGGER .. py:data:: StateLike .. py:data:: DEFAULT_STATE_PROPS :type: dict[str, bool] .. py:function:: load_state_flexible(state: Optional[StateLike] = None) -> Optional[openmm.State] Allows one to flexibly load an OpenMM state, either from a State object or file-like object .. py:function:: serialize_state_from_context(state_path: pathlib.Path, context: openmm.Context, state_params: dict[str, bool] = None) -> None For saving State data within an existing OpenMM Context to file .. py:function:: apply_state_to_context(context: openmm.Context, state: openmm.State) -> None For applying saved State data to an existing OpenMM Context