qp.cluster.spheres.plot_voronoi_2d

qp.cluster.spheres.plot_voronoi_2d(points, points_count, output_path, x_threshold=(22, 32), y_threshold=(15, 25))[source]

Plot a 2D Voronoi diagram from the atomic coordinates, excluding unbounded vertices and filtering by x and y thresholds.

Parameters:

  • points (list or numpy.array) – The 3D coordinates of the points (atoms) to be tessellated. Only the xy-plane projection will be plotted.

  • points_count (int) – The number of real atoms (excluding dummy atoms).

  • output_path (str) – The directory where the plot will be saved.

  • x_threshold (tuple of floats) – The min and max thresholds for the x-coordinate filtering.

  • y_threshold (tuple of floats) – The min and max thresholds for the y-coordinate filtering.

Notes

Zoom-Out -> x_threshold=(-22, 83), y_threshold=(-20, 62) Zoom-In -> x_threshold=(22, 32), y_threshold=(15, 25)