openpathsampling.analysis.tis.TotalCrossingProbability
- class openpathsampling.analysis.tis.TotalCrossingProbability(max_lambda_calc, combiner=None)[source]
Calculate the total crossing probability function.
The total crossing probability function is generated by calculating the individual ensemble crossing probability functions (using, e.g.,
FullHistogramMaxLambdas
, and combining them using some combining method (default isWHAM
). One of these objects is instantiated per transition.- Parameters:
max_lambda_calc (
EnsembleHistogrammer
) – usuallyFullHistogramMaxLambdas
; object that creates the max lambda histograms for the ensembles associated with this transition.combiner (TODO) – class that combines multiple histograms (with restricted sampling) into a single result. If None (default), uses
WHAM
Methods
__init__
(max_lambda_calc[, combiner])args
()Return a list of args of the __init__ function of a class
base
()Return the most parent class actually derived from StorableObject
calculate
(steps[, ensembles])Perform the analysis, using steps as input.
combine_results
(result_1, result_2)Combine two sets of results from this analysis.
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
from_ensemble_histograms
(hists)Calculate results from a dict of ensemble histograms.
from_weighted_trajectories
(input_dict)Calculate results from a weighted trajectories dictionary.
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
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
progress