mdciao.plots.plot_unified_distro_dicts

mdciao.plots.plot_unified_distro_dicts(distros, colors=None, ctc_cutoff_Ang=None, ax_array=None, panelheight_inches=5, fontsize=16, n_cols=1, legend_rows=4, sharex=False)

Plot unified (= with identical keys) distribution dictionaries for different systems

Parameters:

• distros (dictionary of dictionaries) – The first-level dict is keyed by system names, e.g distros.keys() = [“WT”,”D10A”,”D10R”].

  The second-level dict is keyed by contact names

• colors (iterable (list or dict), or str, default is None) –

  • If list, the colors will be assigned in the same order of groups.

  • If dict, has to have the same keys as groups.

  • If str, it has to be a case-sensitve colormap-name of matplotlib: https://matplotlib.org/stable/tutorials/colors/colormaps.html

  • If None, the ‘tab10’ colormap (tableau) is chosen

  be hard coded in a lot places

• ctc_cutoff_Ang (float, default is None) – The cutoff to use

• ax_array (np.ndarray containing Axes, default is None) – By default, the method creates its own figure and subplots, but you can pass a pre-existing array of subplots here, and the distributions will be plotted onto them. Be aware that no checks are done to see if ax_array has enough panels to accommodate all contacts, or the size of the figure is good for readability etc.

• panelheight_inches (int, default is 5) – The height of each panel. Currently the only control on figure size, which is instantiated as >>> figsize=(n_cols * panelheight_inches * 2, n_rows * panelheight_inches) Only has an effect if ax_array is None.

• fontsize (int, default is 16) – Will be used in :obj:`matplotlib._rcParams[“font.size”] # TODO be less invasive

• n_cols (int, default is 1) – Number of columns of the plot, the rows will be computed automatically to accommodate enough panels for the number of contacts in the distros. Only has an effect if ax_array is None.

• legend_rows (int, default is 4) – The maximum number of rows per column of the legend. If you have 10 systems, :obj:`legend_rows`=5 means you’ll get two columns, =2 means you’ll get five.

• sharex (bool, default is False) – Whether the panels (subplots) will share their x-axis. Can be True or “col”, for sharing across columns. See subplots for more info. Only has an effect if ax_array is None.

Returns:

fig, axes

Return type:

Figure and the axes array