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 is WHAM). One of these objects is instantiated per transition.

Parameters
  • max_lambda_calc (EnsembleHistogrammer) – usually FullHistogramMaxLambdas; 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

__init__(max_lambda_calc, combiner=None)[source]

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