pymatgen.analysis.chemenv.utils.chemenv_config module

class ChemEnvConfig(materials_project_configuration=None, package_options=None)

Bases: object

Class used to store the configuration of the chemenv package :

• Materials project access
• ICSD database access
• Default options (strategies, …)

DEFAULT_PACKAGE_OPTIONS = {'default_strategy': {'strategy': 'SimplestChemenvStrategy', 'strategy_options': {'distance_cutoff': 1.4, 'angle_cutoff': 0.3, 'additional_condition': 1, 'continuous_symmetry_measure_cutoff': 10.0}}, 'default_max_distance_factor': 1.5}

classmethod auto_load(root_dir=None)

has_materials_project_access

package_options_description()

save(root_dir=None)

setup()

setup_package_options()