TIS Analysis Tools

Abstract classes

MultiEnsembleSamplingAnalyzer([ensembles])

Abstract class for statistics from MC steps sampling multiple ensembles.

Result data class

TransitionDictResults(results_dict, network)

Analysis result object for properties of a transition.

Flux calculations

DictFlux(flux_dict)	Pre-calculated flux, provided as a dict.
MinusMoveFlux(scheme[, flux_pairs])	Calculating the flux from the minus move.

Histogrammers

EnsembleHistogrammer(ensembles, f, ...)	Generic code to calculate the properly weighted histograms of trajectory properties per ensemble.
PathLengthHistogrammer(ensembles[, ...])	Histogramming path length distribution

Transition probability

StandardTransitionProbability(transition, ...)	Calculate the transition probability according to the TCP/CTP split.
ConditionalTransitionProbability(ensembles, ...)	Calculate the conditional transition probability, P(B|A_m)

Crossing probability function

FullHistogramMaxLambdas(transition, ...[, ...])	Histogramming the full max-lambda function (one way of getting TCP)
TotalCrossingProbability(max_lambda_calc[, ...])	Calculate the total crossing probability function.

Full TIS analysis

TISAnalysis(network, flux_method, ...)	Generic class for TIS analysis.
StandardTISAnalysis(network[, steps, ...])	Standard TIS analysis: flux, TCP, CTP.