openpathsampling.high_level.move_strategy.SelectedPairsRepExStrategy

class openpathsampling.high_level.move_strategy.SelectedPairsRepExStrategy(ensembles=None, group='repex', replace=False)

Add replica exchange swap for specific pairs of ensembles.

Note that unlike many signature-level strategies, this defaults to replace=False, under the assumption that you’re probably using it to add extra replica exchanges.

Parameters:

• ensembles (list of pairs of ensembles, or list of two ensembles) – ensemble pairs for replica exchange

• group (str) – name of the group, default ‘repex’

• replace (bool) – whether to replica existing signature, default False

__init__(ensembles=None, group='repex', replace=False)

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.
initialization_error()
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