pyrevs.runner.worker

A set of functions used by pyREVS workers.

Functions

update_trajectory_in_sql(→ None)	Wrapper for update SQL trajectory info.
traj_advance_with_exception(→ pyrevs.trajectory.Trajectory)	Advance a trajectory with exception handling.
pool_worker(→ pyrevs.trajectory.Trajectory)	A worker to generate each initial trajectory.
ms_worker(→ pyrevs.trajectory.Trajectory)	A worker to restart trajectories.
worker_async(→ None)	An async worker for the asyncio taskrunner.

Module Contents

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.

Parameters:

• trajdb – the SQL database to update

• traj – the traj to get the information from

• db_path – an optional pyREVS database path

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.

Parameters:

• traj – a trajectory

• termination_criteria – a list of termination criterion for the advance call

• walltime – the time limit to advance the trajectory

• trajdb – a handle to the SQL database

• db_path – an optional path to the run database

Returns:

The updated trajectory

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.

Parameters:

• traj – a trajectory

• termination_criteria – a list of termination criterion for the advance call

• end_date – the time limit to advance the trajectory

• trajdb_path – an optional path to the SQL database

• db_path – an optional path to the run database

Returns:

The updated trajectory

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.

Parameters:

• from_traj – a trajectory to restart from

• rst_traj – the trajectory being restarted

• min_val – the value of the score function to restart from

• new_weight – the weight of the new child trajectory

• termination_criteria – a list of termination criterion for the advance call

• end_date – the time limit to advance the trajectory

• trajdb_path – a path to the SQL database

• db_path – an optional path to the run database

async 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

An async worker for the asyncio taskrunner.

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

Parameters:

• queue – a queue from which to get tasks

• res_queue – a queue to put the results in

• executor – an executor to launch the work in