alchemlyb.visualisation.plot_dF_state

alchemlyb.visualisation.plot_dF_state(estimators, labels=None, colors=None, units='kT', orientation='portrait', nb=10)

Plot the dhdl of TI.

Parameters

  • estimators (estimators or list) – One or more estimators, where the dhdl value will be taken from. For more than one estimators with more than one alchemical transformation, a list of list format is used.

  • labels (List) – list of labels for labelling different estimators.

  • colors (List) – list of colors for plotting different estimators.

  • units (str) – The unit of the estimate. Default: “kT”

  • orientation (string) – The orientation of the figure. Can be portrait or landscape

  • nb (int) – Maximum number of dF states in one row in the portrait mode

Returns

An Figure with the dF states drawn.

Return type

matplotlib.figure.Figure

Note

The code is taken and modified from Alchemical Analysis.

The units variable is for labelling only. Changing it doesn’t change the unit of the underlying variable, which is in the unit of \(kT\).

New in version 0.4.0.