KBI Analysis Plotter

Plotting support for KBI convergence and extrapolation.

class kbkit.visualization.kbi.KBIAnalysisPlotter(kbi: PropertyResult)[source]

Bases: object

Visualize KBI convergence and extrapolation to the thermodynamic limit.

Parameters:

kbi (PropertyResult) – PropertyResult object containing KBI values for analysis.

plot_rkbis(cmap: str | None = None, add_kbi_value: bool = True, savepath: str | Path | None = None)[source]

Plot KBI analysis plots for all systems present.

Parameters:

  • cmap (str, optional) – Matplotlib colormap name.

  • add_kbi_value (bool, optional) – Add horizontal value for KBI with weight_type='geometric'.

  • savepath (str | Path, optional) – Path to save figures to.

plot_composition(x: ndarray, molecules: list[str], xlab: str, units: str = 'cm^3/mol', cmap: str = 'jet', savepath: str | Path | None = None, show: bool = True, **kwargs)[source]

Plot KBIs as a function of composition for all systems present.

Parameters:

  • x (np.ndarray) – Composition to plot (1D array).

  • molecules (list[str]) – List of molecules corresponding to shape of KBI array.

  • xlab (str) – x-label for plot.

  • show_err (bool, optional) – Show errorbar on plot.

  • units (str, optional) – Units for KBI in figures.

  • cmap (str, optional) – Matplotlib colormap.

  • savepath (str | Path, optional) – Path to save figures to.

  • show (bool, optional) – Show all figures.