wepy.runners.runner module

Abstract Base classes implementing the Runner interface.

Runner Interface

All a runner needs to implement is the ‘run_segment’ method which should accept a walker and a spec for the length of the segment to run (e.g. number of dynamics steps).

Additionally, any number of optional key word arguments should be given.

As a matter of convention, classes accessory to a runner (such as State, Walker, Worker, etc.) should also be put in the same module as the runner.

See the openmm.py module for an example.

class wepy.runners.runner.Runner[source]

Bases: object

Abstract base class for the Runner interface.

pre_cycle(**kwargs)[source]

Perform pre-cycle behavior. run_segment will be called for each walker so this allows you to perform changes of state on a per-cycle basis.

Parameters:

kwargs (key-word arguments) – Key-value pairs to be interpreted by each runner implementation.

post_cycle(**kwargs)[source]

Perform post-cycle behavior. run_segment will be called for each walker so this allows you to perform changes of state on a per-cycle basis.

Parameters:

kwargs (key-word arguments) – Key-value pairs to be interpreted by each runner implementation.

run_segment(walker, segment_length, **kwargs)[source]

Run dynamics for the walker.

Parameters:

  • walker (object implementing the Walker interface) – The walker for which dynamics will be propagated.

  • segment_length (int or float) – The numerical value that specifies how much dynamics are to be run.

Returns:

new_walker – Walker after dynamics was run, only the state should be modified.

Return type:

object implementing the Walker interface

class wepy.runners.runner.NoRunner[source]

Bases: Runner

Stub Runner that just returns the walkers back with the same state.

May be useful for testing.

run_segment(walker, segment_length, **kwargs)[source]

Run dynamics for the walker.

Parameters:

  • walker (object implementing the Walker interface) – The walker for which dynamics will be propagated.

  • segment_length (int or float) – The numerical value that specifies how much dynamics are to be run.

Returns:

new_walker – Walker after dynamics was run, only the state should be modified.

Return type:

object implementing the Walker interface

post_cycle(**kwargs)

Perform post-cycle behavior. run_segment will be called for each walker so this allows you to perform changes of state on a per-cycle basis.

Parameters:

kwargs (key-word arguments) – Key-value pairs to be interpreted by each runner implementation.

pre_cycle(**kwargs)

Perform pre-cycle behavior. run_segment will be called for each walker so this allows you to perform changes of state on a per-cycle basis.

Parameters:

kwargs (key-word arguments) – Key-value pairs to be interpreted by each runner implementation.