openpathsampling.high_level.move_strategy.MoveStrategy

class openpathsampling.high_level.move_strategy.MoveStrategy(ensembles, group, replace)[source]

Each MoveStrategy describes one aspect of the approach to the overall MoveScheme. Within path sampling, there’s a near infinity of reasonable move schemes to be used; we use MoveStrategy to simplify mixing and matching of different approaches.

Parameters
  • ensembles (list of list of Ensemble, list of Ensemble, Ensemble, or None) – The ensembles used by this strategy

  • group (string or None) – The group this strategy is associated with (if any).

  • replace (bool) – Whether this strategy should replace existing movers. See also MoveStrategy.set_replace and MoveScheme.apply_strategy.

replace_signatures

Whether this strategy should replace at the signature level.

Type

bool or None

replace_movers

Whether this strategy should replace at the mover level.

Type

bool or None

level
__init__(ensembles, group, replace)[source]

Methods

__init__(ensembles, group, replace)

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

descendants()

Return a list of all subclassed objects

fix_name()

Set the objects name to be immutable.

from_dict(dct)

Reconstruct an object from a dictionary representaiton

get_ensembles(scheme, ensembles)

Regularizes ensemble input to list of list.

get_parameters(scheme[, list_parameters, …])

Gather initialization parameters for each mover to be created.

get_per_mover_ensembles(scheme)

Get ensembles for each mover to be created.

get_uuid()

idx(store)

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

make_movers(scheme)

Makes the movers associated with this strategy.

named(name)

Name an unnamed object.

objects()

Returns a dictionary of all storable objects

reverse_uuid()

ruuid(uid)

set_observer(active)

(De-)Activate observing creation of storable objects

set_replace(replace)

Sets values for replace_signatures and replace_movers.

to_dict()

Convert object into a dictionary representation

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.

is_named

True if this object has a custom name.

level

The level of this strategy.

name

Return the current name of the object.

observe_objects