openpathsampling.engines.BaseSnapshot

class openpathsampling.engines.BaseSnapshot(topology=None)[source]

Simulation snapshot. Contains references to a configuration and momentum

Parameters

topology (openpathsamping.Topology, default: None) – The corresponding topology used with this Snapshot. Can also be None and means no topology is specified.

__init__(topology=None)[source]

Methods

__init__([topology])

args()

Return a list of args of the __init__ function of a class

base()

Return the most parent class actually derived from StorableObject

copy()

Returns a shallow copy of the instance itself.

copy_with_replacement(**kwargs)

count_weaks()

Return number of objects subclassed from StorableObject still in memory

create_reversed()

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.

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

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

observe_objects

reversed

Get the reversed copy.