emmet.core.featurization.robocrys.util

Miscellaneous utility functions and common data.

Attributes:

common_formulas: A set of common formulas. The keys to the data are strings

from pymatgen.core.composition.Composition.reduced_formula.

connected_geometries: A list of geometries that are considered

“connectable” polyhedra. E.g. Their face-sharing, edge-sharing, etc properties are of interest.

geometry_to_polyhedra: A mapping from geometry type (e.g. octahedral) to the

plural polyhedra name (e.g. octahedra).

dimensionality_to_shape: A mapping from dimensionality to the component

shape.

Functions

defaultdict_to_dict	Recursively convert nested defaultdict to dict.
get_el	Utility method to get an element str from a symbol, Element, or Specie.
get_formatted_el	Formats an element string.
htmlify_spacegroup	Formats a spacegroup using unicode symbols.
superscript_number	Converts a string containing numbers to superscript.
unicodeify_spacegroup	Formats a spacegroup using unicode symbols.

Classes

TYPE_CHECKING	bool(x) -> bool
common_formulas	dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).
connected_geometries	Built-in mutable sequence.
dimensionality_to_shape	dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).
geometry_to_polyhedra	dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).
polyhedra_plurals	dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).