pymatgen.analysis.chemenv.utils.scripts_utils module

This module contains some script utils that are used in the chemenv package.

compute_environments(chemenv_configuration)

Compute the environments.

Parameters

chemenv_configuration –

Returns

draw_cg(vis, site, neighbors, cg=None, perm=None, perfect2local_map=None, show_perfect=False, csm_info=None, symmetry_measure_type='csm_wcs_ctwcc', perfect_radius=0.1, show_distorted=True, faces_color_override=None)

Draw cg.

Parameters

• vis –

• site –

• neighbors –

• cg –

• perm –

• perfect2local_map –

• show_perfect –

• csm_info –

• symmetry_measure_type –

• perfect_radius –

• show_distorted –

• faces_color_override –

Returns

thankyou()

Show thank you message. :return:

visualize(cg, zoom=None, vis=None, myfactor=1.0, view_index=True, faces_color_override=None)

Visualizing a coordination geometry :param cg: :param zoom: :param vis: :param myfactor: :param view_index: :param faces_color_override: :return:

welcome(chemenv_config)

Show welcome message. :param chemenv_config: :return: