@@ -0,0 +1,1345 @@
+from pymatgen.core.structure import Structure%0Afrom pymatgen.analysis.structure_analyzer import VoronoiCoordFinder%0Aimport connectivity_from_structure as connectivity%0A%0A__author__ = 'Tina_Chen'%0A__contributor__ = 'Anubhav Jain'%0A%0Aif __name__ == '__main__':%0A%0A    # path to structure file%0A    path = 'LiCoO2.cif'%0A%0A    # optional list of strings with central/target species abbreviations%0A    # (i.e. we aim to find connectivity between polyhedra with these species at the center)%0A    central_species = %5B'Li'%5D%0A%0A    # optional list of strings with peripheral species abbreviations%0A    # (i.e. we aim to find connectivity where these species are surrounding the central/target species)%0A    peripheral_species = None%0A%0A    # radius from the central/target sites to which we look for peripheral species%0A    # only needs to be changed if central species is very large (eg: Ba, Sr)%0A    radius = 2.6%0A%0A    structure = Structure.from_file(path, True, True)%0A    print structure%0A    connectivity_matrix, all_polyhedra, supercell = %5C%0A        connectivity.get_connectivity_matrix(structure, True, radius, peripheral_species, central_species)%0A    descriptions = connectivity.get_connectivity_description(connectivity_matrix, all_polyhedra, structure, True, anions=peripheral_species)%0A%0A    for cation in descriptions:%0A        print %22%22%0A        print descriptions%5Bcation%5D%0A

test code to run connectivity with