EmmetSettings

class emmet.core.settings.EmmetSettings(_case_sensitive=None, _nested_model_default_partial_update=None, _env_prefix=None, _env_file=PosixPath('.'), _env_file_encoding=None, _env_ignore_empty=None, _env_nested_delimiter=None, _env_nested_max_split=None, _env_parse_none_str=None, _env_parse_enums=None, _cli_prog_name=None, _cli_parse_args=None, _cli_settings_source=None, _cli_parse_none_str=None, _cli_hide_none_type=None, _cli_avoid_json=None, _cli_enforce_required=None, _cli_use_class_docs_for_groups=None, _cli_exit_on_error=None, _cli_prefix=None, _cli_flag_prefix_char=None, _cli_implicit_flags=None, _cli_ignore_unknown_args=None, _cli_kebab_case=None, _cli_shortcuts=None, _secrets_dir=None, **values)

Bases: BaseSettings

Settings for the emmet- packages Non-core packages should subclass this to get settings specific to their needs The default way to modify these is to modify ~/.emmet.json or set the environment variable EMMET_CONFIG_FILE to point to the json with emmet settings

Parameters:

• _case_sensitive (bool | None)

• _nested_model_default_partial_update (bool | None)

• _env_prefix (str | None)

• _env_file (DotenvType | None)

• _env_file_encoding (str | None)

• _env_ignore_empty (bool | None)

• _env_nested_delimiter (str | None)

• _env_nested_max_split (int | None)

• _env_parse_none_str (str | None)

• _env_parse_enums (bool | None)

• _cli_prog_name (str | None)

• _cli_parse_args (bool | list[str] | tuple[str, ...] | None)

• _cli_settings_source (CliSettingsSource[Any] | None)

• _cli_parse_none_str (str | None)

• _cli_hide_none_type (bool | None)

• _cli_avoid_json (bool | None)

• _cli_enforce_required (bool | None)

• _cli_use_class_docs_for_groups (bool | None)

• _cli_exit_on_error (bool | None)

• _cli_prefix (str | None)

• _cli_flag_prefix_char (str | None)

• _cli_implicit_flags (bool | None)

• _cli_ignore_unknown_args (bool | None)

• _cli_kebab_case (bool | Literal['all', 'no_enums'] | None)

• _cli_shortcuts (Mapping[str, str | list[str]] | None)

• _secrets_dir (PathType | None)

• config_file (str)

• LTOL (float)

• STOL (float)

• SYMPREC (float)

• ANGLE_TOL (float)

• PGATOL (float)

• PGAEIGENTOL (float)

• PGAMATRIXTOL (float)

• MAX_PIEZO_MILLER (int)

• QCHEM_FUNCTIONAL_QUALITY_SCORES (dict[str, int])

• QCHEM_BASIS_QUALITY_SCORES (dict[str, int])

• QCHEM_SOLVENT_MODEL_QUALITY_SCORES (dict[str, int])

• QCHEM_TASK_QUALITY_SCORES (dict[str, int])

• VASP_STRUCTURE_QUALITY_SCORES (dict[str, int])

• VASP_KPTS_TOLERANCE (float)

• VASP_KSPACING_TOLERANCE (float)

• VASP_MAX_MAGMOM (dict[str, float])

• VASP_DEFAULT_INPUT_SETS (dict[str, ImportString])

• VASP_VALIDATE_POTCAR_STATS (bool)

• VASP_CHECKED_LDAU_FIELDS (list[str])

• VASP_MAX_SCF_GRADIENT (float)

• VASP_USE_STATICS (bool)

• USE_EMMET_MODELS (bool)

model_config: ClassVar[SettingsConfigDict] = {'arbitrary_types_allowed': True, 'case_sensitive': False, 'cli_avoid_json': False, 'cli_enforce_required': False, 'cli_exit_on_error': True, 'cli_flag_prefix_char': '-', 'cli_hide_none_type': False, 'cli_ignore_unknown_args': False, 'cli_implicit_flags': False, 'cli_kebab_case': False, 'cli_parse_args': None, 'cli_parse_none_str': None, 'cli_prefix': '', 'cli_prog_name': None, 'cli_shortcuts': None, 'cli_use_class_docs_for_groups': False, 'enable_decoding': True, 'env_file': None, 'env_file_encoding': None, 'env_ignore_empty': False, 'env_nested_delimiter': None, 'env_nested_max_split': None, 'env_parse_enums': None, 'env_parse_none_str': None, 'env_prefix': 'emmet_', 'extra': 'ignore', 'json_file': None, 'json_file_encoding': None, 'nested_model_default_partial_update': False, 'protected_namespaces': ('model_validate', 'model_dump', 'settings_customise_sources'), 'secrets_dir': None, 'toml_file': None, 'validate_default': True, 'yaml_config_section': None, 'yaml_file': None, 'yaml_file_encoding': None}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

classmethod load_default_settings(values)

Loads settings from a root file if available and uses that as defaults in place of built in defaults

Return type:

Any

Parameters:

values (Any)

as_dict()

HotPatch to enable serializing EmmetSettings via Monty