openpathsampling.analysis.tis.TransitionDictResults

class openpathsampling.analysis.tis.TransitionDictResults(results_dict, network, allow_sampling=True)[source]

Analysis result object for properties of a transition.

Each value is associated with a specific (analysis/physical) transition. This object allows those values to be accessed either using (as a key, i.e., in square brackets) any of:

  • the transition object for the (initial_state, final_state) pair

  • the tuple of (initial_state, final_state) for the transition

  • the sampling transition object, if allow_sampling==True; this is only desired if the quantity is only dependent on the sampling transition

Note that results cannot be changed in this; a new object must be made if that is desired (but the original input can be accessed with the .results_dict attribute, and then modified as needed).

Parameters
  • results_dict (dict of 2-tuple of Volume to float or Quantity) – dict connecting tuple of (initial_state, final_state) to the associated quantity

  • network (TransitionNetwork) – the transition network associated with these results

  • allow_sampling (bool) – whether to allow elements of network.sampling_transitions to be used as keys for to retrieve the stored results; this only makes sense if the stored result is only dependent on the sampling transition

__init__(results_dict, network, allow_sampling=True)[source]

Methods

__init__(results_dict, network[, allow_sampling])

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_uuid()

idx(store)

Return the index which is used for the object in the given store.

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

to_dict()

Convert object into a dictionary representation

to_pandas([order])

Output stored results as pandas.DataFrame

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.

name

Return the current name of the object.

observe_objects