openpathsampling.analysis.tis.TransitionDictResults

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

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)

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