openpathsampling.high_level.move_strategy.TwoWayShootingStrategy

class openpathsampling.high_level.move_strategy.TwoWayShootingStrategy(modifier, selector=None, ensembles=None, engine=None, group='shooting', replace=True)[source]

Strategy to make a group of 2-way shooting movers.

Parameters
  • modifier (SnapshotModifier) – how to modify the shooting point

  • selector (ShootingPointSelector) – how to select the shooting point; None (default) gives uniform selection

  • ensembles (list of Ensemble) – ensembles to include; see MoveStrategy documentation for details

  • engine (DynamicsEngine) – the dynamics engine to use

  • group (string) – the name of the mover group, default is “shooting”

  • replace (bool) – whether to replace existing movers, default True. See MoveStrategy documentation for details.

__init__(modifier, selector=None, ensembles=None, engine=None, group='shooting', replace=True)[source]

Methods

__init__(modifier[, selector, ensembles, ...])

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_init_ensembles(scheme)

Procedure for selecting the initialization ensembles.

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.

signatures_to_init_ensembles(signatures)

Convert signatures into initialization ensembles.

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