pymatgen.analysis.chemenv.utils.chemenv_config module

class ChemEnvConfig(materials_project_configuration=None, package_options=None)[source]

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)[source]
has_materials_project_access
package_options_description()[source]
save(root_dir=None)[source]
setup()[source]
setup_package_options()[source]