openpathsampling.numerics.SparseHistogram

class openpathsampling.numerics.SparseHistogram(bin_widths, left_bin_edges)[source]

Base class for sparse-based histograms.

Parameters
  • bin_widths (array-like) – bin (voxel) size

  • left_bin_edges (array-like) – lesser side of the bin (for each direction)

__init__(bin_widths, left_bin_edges)[source]

Methods

__init__(bin_widths, left_bin_edges)

add_data_to_histogram(data[, weights])

Adds data to the internal histogram counter.

compare_parameters(other)

Test whether the other histogram has the same parameters.

empty_copy()

Returns a new histogram with the same bin shape, but empty

histogram([data, weights])

Build the histogram.

map_to_bins(data)

param data

input data

map_to_float_bins(trajectory)

normalized([raw_probability, bin_edge])

Callable normalized version of the sparse histogram.

sum_histograms(hists)

xvals(bin_edge_type)

Position values for the bin