openpathsampling.analysis.tis.EnsembleHistogrammer

class openpathsampling.analysis.tis.EnsembleHistogrammer(ensembles, f, hist_parameters)[source]

Generic code to calculate the properly weighted histograms of trajectory properties per ensemble.

Parameters
  • ensembles (list of Ensemble) – ensembles to be included in the histogram

  • f (callable) – the function to be histogrammed

  • hist_parameters (dict) – allowed keys are ‘bin_width’ and ‘bin_range’; value for ‘bin_width’ is a float; for ‘bin_range’ is a tuple with (left_edge, right_edge) (only left edge is used)

__init__(ensembles, f, hist_parameters)[source]

Methods

__init__(ensembles, f, hist_parameters)

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_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