IcohpDistancePlotter

class lobsterpy.plotting.IcohpDistancePlotter(are_coops=False, are_cobis=False)

Bases: object

Plotter to generate ICOHP or ICOBI or ICOOP vs bond lengths plots.

Parameters:

• are_coops (bool) – Bool indicating that populations are ICOOPs, not ICOHPs. Defaults to False for COHPs.

• are_cobis (bool) – Bool indicating that populations are ICOBIs, not ICOHPs. Defaults to False for COHPs.

add_icohps(label, icohpcollection)

Add ICOHPs or ICOBIs or ICOOPS for plotting.

Parameters:

• label (str) – Label for the ICOHPs. Must be unique.

• icohpcollection (IcohpCollection) – IcohpCollection object.

get_plot(ax=None, alpha=0.4, marker_size=50, marker_style='o', xlim=None, ylim=None, plot_negative=True, colors=None, color_interactions=False)

Get a matplotlib plot showing the COHP or COBI or COOP with respect to bond lengths.

Parameters:

• ax (Axes | None) – Existing Matplotlib Axes object to plot to.

• alpha (float) – sets the transparency of markers in scatter plots

• marker_size (float) – sets the size of markers in scatter plots

• marker_style (str) – sets type of marker used in plot

• xlim (tuple[float, float] | None) – Specifies the x-axis limits. Defaults to None for automatic determination.

• ylim (tuple[float, float] | None) – Specifies the y-axis limits. Defaults to None for automatic determination.

• plot_negative (bool) – Will plot -1*ICOHPs. Works only for ICOHPs

• colors (list[str] | None) – list of hex color codes to be used in plot

• color_interactions (bool) – If True, will color the interactions based on atom types

Returns:

A matplotlib object.