bsym.coordinate_config_space

class bsym.coordinate_config_space.CoordinateConfigSpace(coordinates, symmetry_group=None, objects=None)

Bases: bsym.configuration_space.ConfigurationSpace

A CoordinateConfigSpace object is a :any`ConfigurationSpace` that has an associated set of coordinates. Each vector in the configuration vector space has a corresponding coordinate.

unique_coordinates(site_distribution, verbose=False)

Find the symmetry inequivalent coordinates for a given site occupation.

Parameters:

• site_distribution (dict) –

  A dictionary that defines the number of each object to be arranged in this system.

  e.g. for a structure with four sites, with two occupied (denoted 1) and two unoccupied (denoted 0):

  { 1: 2, 0: 2 }
  

• (opt (verbose) – default=False): Print verbose output.

Returns:

A list of dicts. Each dict describes the set of coordinates for each site type.

Return type:

unique_coordinates (list[dict])