pyrevs.runner.worker
====================

.. py:module:: pyrevs.runner.worker

.. autoapi-nested-parse::

   A set of functions used by pyREVS workers.



Functions
---------

.. autoapisummary::

   pyrevs.runner.worker.update_trajectory_in_sql
   pyrevs.runner.worker.traj_advance_with_exception
   pyrevs.runner.worker.pool_worker
   pyrevs.runner.worker.ms_worker
   pyrevs.runner.worker.worker_async


Module Contents
---------------

.. py:function:: update_trajectory_in_sql(traj: pyrevs.trajectory.Trajectory, trajdb: pyrevs.core.CoreDB | None = None, db_path: str | None = None) -> None

   Wrapper for update SQL trajectory info.

   :param trajdb: the SQL database to update
   :param traj: the traj to get the information from
   :param db_path: an optional pyREVS database path


.. py:function:: traj_advance_with_exception(traj: pyrevs.trajectory.Trajectory, termination_criteria: list[pyrevs.strategies.base.TerminationCriterion], walltime: float, trajdb: pyrevs.core.CoreDB | None = None, db_path: str | None = None) -> pyrevs.trajectory.Trajectory

   Advance a trajectory with exception handling.

   :param traj: a trajectory
   :param termination_criteria: a list of termination criterion for the advance call
   :param walltime: the time limit to advance the trajectory
   :param trajdb: a handle to the SQL database
   :param db_path: an optional path to the run database

   :returns: The updated trajectory


.. py:function:: pool_worker(traj: pyrevs.trajectory.Trajectory, termination_criteria: list[pyrevs.strategies.base.TerminationCriterion], end_date: datetime.date, trajdb_path: str | None = None, db_path: str | None = None) -> pyrevs.trajectory.Trajectory

   A worker to generate each initial trajectory.

   :param traj: a trajectory
   :param termination_criteria: a list of termination criterion for the advance call
   :param end_date: the time limit to advance the trajectory
   :param trajdb_path: an optional path to the SQL database
   :param db_path: an optional path to the run database

   :returns: The updated trajectory


.. py:function:: ms_worker(from_traj: pyrevs.trajectory.Trajectory, rst_traj: pyrevs.trajectory.Trajectory, min_val: float, new_weight: float, termination_criteria: list[pyrevs.strategies.base.TerminationCriterion], end_date: datetime.date, trajdb_path: str | None = None, db_path: str | None = None) -> pyrevs.trajectory.Trajectory

   A worker to restart trajectories.

   :param from_traj: a trajectory to restart from
   :param rst_traj: the trajectory being restarted
   :param min_val: the value of the score function to restart from
   :param new_weight: the weight of the new child trajectory
   :param termination_criteria: a list of termination criterion for the advance call
   :param end_date: the time limit to advance the trajectory
   :param trajdb_path: a path to the SQL database
   :param db_path: an optional path to the run database


.. py:function:: worker_async(queue: asyncio.Queue[tuple[collections.abc.Callable[Ellipsis, Any], pyrevs.trajectory.Trajectory, float, bool, str]], res_queue: asyncio.Queue[asyncio.Future[pyrevs.trajectory.Trajectory]], executor: concurrent.futures.Executor) -> None
   :async:


   An async worker for the asyncio taskrunner.

   It wraps the call to one of the above worker functions
   with access to the queue.

   :param queue: a queue from which to get tasks
   :param res_queue: a queue to put the results in
   :param executor: an executor to launch the work in