openpathsampling.high_level.move_strategy.MoveStrategy

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

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)

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