TIS Analysis Tools

Abstract classes


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


Pre-calculated flux, provided as a dict.

MinusMoveFlux(scheme[, flux_pairs])

Calculating the flux from the minus move.


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.