emmet.core.featurization.robocrys.describe.describer

This module provides a class for generating descriptions of condensed structure data.

Todo:

• Indicate when molecules have been simplified in the mineral description.

• Handle distortion in connected polyhedra description.

Functions

get_mineral_name

Get the mineral name from a mineral dictionary.

Classes

StructureDescriber
TYPE_CHECKING	bool(x) -> bool
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).