openpathsampling.MoveChange

class openpathsampling.MoveChange(subchanges=None, samples=None, mover=None, details=None, input_samples=None)[source]

A class that described the concrete realization of a PathMove.

mover

The mover that generated this MoveChange

Type

PathMover

samples

A list of newly generated samples by this particular move. Only used by node movers like RepEx or Shooters

Type

list of Sample

subchanges

the MoveChanges created by submovers

Type

list of MoveChanges

details

an object that contains MoveType specific attributes and information. E.g. for a RandomChoiceMover which Mover was selected.

Type

Details

__init__(subchanges=None, samples=None, mover=None, details=None, input_samples=None)[source]

Methods

__init__([subchanges, samples, mover, …])

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

from_dict(dct)

Reconstruct an object from a dictionary representaiton

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

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

movetree()

Return a tree with the movers of each node

objects()

Returns a dictionary of all storable objects

reverse_uuid()

ruuid(uid)

set_observer(active)

(De-)Activate observing creation of storable objects

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

accepted

Returns if this particular move was accepted.

base_cls

Return the base class

base_cls_name

Return the name of the base class

canonical

Return the first non single-subchange

cls

Return the class name as a string

collapsed_samples

Return a collapsed set of samples with non used samples removed

description

Return a compact representation of the change

details

Descriptor class to handle proxy objects in attributes

identifier

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

observe_objects

results

Returns a list of all samples that are accepted in this move

subchange

Return the single/only sub-movechange if there is only one.

submovers

trials

Returns a list of all samples generated during the PathMove.