pymatgen.analysis.chemenv.utils.chemenv_config module

class ChemEnvConfig(package_options=None)[source]
Class used to store the configuration of the chemenv package :
  • Materials project access
  • ICSD database access
  • Default options (strategies, …)
DEFAULT_PACKAGE_OPTIONS = {u'default_max_distance_factor': 1.5, u'default_strategy': {u'strategy': u'SimplestChemenvStrategy', u'strategy_options': {u'additional_condition': 1, u'angle_cutoff': 0.3, u'continuous_symmetry_measure_cutoff': 10.0, u'distance_cutoff': 1.4}}}
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]