pymatgen.analysis.chemenv.utils.scripts_utils module

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

compute_environments(chemenv_configuration)[source]

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)[source]

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()[source]

Show thank you message. :return:

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

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

welcome(chemenv_config)[source]

Show welcome message. :param chemenv_config: :return: