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 histogramf (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)
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