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_LONGCREATION_COUNTINSTANCE_UUIDbase_clsReturn the base class
base_cls_nameReturn the name of the base class
clsReturn the class name as a string
default_nameReturn the default name.
is_namedTrue if this object has a custom name.
nameReturn the current name of the object.
observe_objectsprogress