alchemlyb.visualisation.plot_ti_dhdl

alchemlyb.visualisation.plot_ti_dhdl(dhdl_data, labels=None, colors=None, units='kT', ax=None)

Plot the dhdl of TI.

Parameters

  • dhdl_data (TI or list) – One or more TI estimator, where the dhdl value will be taken from.

  • labels (List) – list of labels for labelling all the alchemical transformations.

  • colors (List) – list of colors for plotting all the alchemical transformations. Default: [‘r’, ‘g’, ‘#7F38EC’, ‘#9F000F’, ‘b’, ‘y’]

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

  • ax (matplotlib.axes.Axes) – Matplotlib axes object where the plot will be drawn on. If ax=None, a new axes will be generated.

Returns

An axes with the TI dhdl drawn.

Return type

matplotlib.axes.Axes

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.