Voronoi Descriptors¶

This module computes descriptors based on the Voronoi tessellation of the system.

pythia.voronoi.angle_histogram(box, positions, bins, buffer_distance=None, area_weight_mode='product')[source]¶

Compute the area-weighted (a_i + a_j) angle histogram of all pairs of faces for the voronoi polyhedron of each particle. Sums the areas into the given number of bins (from 0 to pi).

Parameters:	bins – Number of bins to use for the histogram buffer_distance – Distance to copy parts of the simulation box for periodic boundary conditions in the voronoi diagram computation area_weight_mode – Whether the weight for each pair of faces should be the sum (‘sum’) or product (‘product’) of the face areas

This function uses the following citations:

@misc{freud2016,
        title = {freud},
        url = {https://doi.org/10.5281/zenodo.166564},
        abstract = {First official open-source release, includes a zenodo DOI for citations.},
        author = {Harper, Eric S and Spellings, Matthew and Anderson, Joshua A and Glotzer, Sharon C},
        month = nov,
        year = {2016},
        doi = {10.5281/zenodo.166564},
}