openpathsampling.numerics.LookupFunctionGroup

class openpathsampling.numerics.LookupFunctionGroup(functions, use_x='shared')[source]

Simple mean and std for a group of LookupFunctions.

The mean and std from this are, themselves, LookupFunctions, and so can interpolate between included values. Calling the group acts as calling the mean. __getitem__, __setitem__, and append act on the list of functions.

Parameters
  • functions (list of LookupFunctions) – the functions included

  • use_x ("shared" (default), "all", or list of numbers) – the values to consider as the ordinates. If “shared”, includes only values which appear in all the functions. If “all”, includes all values which appear in any function. A list of numbers will use that list as the ordinate values.

Notes

The choice of use_x is very important for the calculation of the mean and standard deviation: if you use “shared”, then you only calculate the mean/std at points where all functions have measured values. If you use “all”, you will include points which are interpolated/extrapolated, instead of measured. In the current implementation, there is no way to get a mean/std with different numbers of contributions at each point, depending on whether the point has a measurement or is an extrapolation.

__init__(functions, use_x='shared')[source]

Methods

__init__(functions[, use_x])

append(item)

from_dict(dct)

keys()

Return the (ordered) list of ordinates

series()

Return a pandas.Series representation of data points

values()

Return the list of values (ordered by ordinate)

Attributes

mean

Mean.

std

Standard deviation.

use_x

x

Property to return the ordinates