openpathsampling.pathmover.OneWayShootingMover

class openpathsampling.pathmover.OneWayShootingMover(ensemble, selector, engine=None)[source]

One-way (stochastic) shooting mover

OneWayShootingMover is a special case of a RandomChoiceMover which combines gives a 50/50 chance of selecting either a ForwardShootMover or a BackwardShootMover. Both submovers use the same shooting point selector, and both apply to the same ensembles and replicas.

selector

The shooting point selection scheme

Type

openpathsampling.ShootingPointSelector

ensemble

Ensemble for this shooting mover

Type

openpathsampling.Ensemble

__init__(ensemble, selector, engine=None)[source]

Methods

__init__(ensemble, selector[, engine])

args()

Return a list of args of the __init__ function of a class

base()

Return the most parent class actually derived from StorableObject

count_weaks()

Return number of objects subclassed from StorableObject still in memory

depth_post_order(fnc[, level])

Traverse the tree in post-order applying a function with depth

depth_pre_order(fnc[, level, only_canonical])

Traverse the tree of node in pre-order applying a function

descendants()

Return a list of all subclassed objects

fix_name()

Set the objects name to be immutable.

from_dict(dct)

get_uuid()

idx(store)

Return the index which is used for the object in the given store.

key(change)

keylist()

Return a list of key : subtree tuples

legal_sample_set(sample_set[, ensembles, ...])

This returns all the samples from sample_set which are in both self.replicas and the parameter ensembles.

map_post_order(fnc, **kwargs)

Traverse the tree in post-order applying a function

map_pre_order(fnc, **kwargs)

Traverse the tree in pre-order applying a function

map_tree(fnc)

Apply a function to each node and return a nested tree of results

move(sample_set)

Run the generation starting with the initial sample_set specified.

move_core(samples)

move_replica_state(replica_states)

named(name)

Name an unnamed object.

objects()

Returns a dictionary of all storable objects

reverse_uuid()

ruuid(uid)

select_mover(weights)

select_sample(sample_set[, ensembles, replicas])

Returns one of the legal samples given self.replica and the ensemble set in ensembles.

set_observer(active)

(De-)Activate observing creation of storable objects

sub_replica_state(replica_states)

Return set of replica states that a submover might be called with

to_dict()

Convert object into a dictionary representation

tree()

Return the object as a tree structure of nested lists of nodes

Attributes

ACTIVE_LONG

CREATION_COUNT

INSTANCE_UUID

base_cls

Return the base class

base_cls_name

Return the name of the base class

cls

Return the class name as a string

default_name

Return the default name.

engine

ensemble

ensemble_signature

ensemble_signature_set

identifier

A unique identifier to build the unique key for a position in a tree

in_out

List the input -> output relation for ensembles

input_ensembles

Return a list of possible used ensembles for this mover

is_canonical

is_ensemble_change_mover

is_named

True if this object has a custom name.

name

Return the current name of the object.

observe_objects

output_ensembles

Return a list of possible returned ensembles for this mover

selector

submovers

Returns a list of submovers