jarvis.core.composition ======================= .. py:module:: jarvis.core.composition .. autoapi-nested-parse:: Modules handling chemical composition. Classes ------- .. autoapisummary:: jarvis.core.composition.Composition Module Contents --------------- .. py:class:: Composition(content={}, sort=False) Bases: :py:obj:`object` Generate composition python object. .. py:attribute:: _content .. py:method:: from_string(value, sort=True) :staticmethod: Generate composition from string. .. py:method:: reduce() Reduce chemical formula. .. py:property:: prototype Get chemical prototypes such as A, AB etc. .. py:property:: prototype_new Get chemical prototypes such as A, AB etc. .. py:method:: to_dict() Return dictionary format. .. py:property:: nspecies Return number of species. .. py:property:: search_string Return JARVIS sorted search string. .. py:method:: from_dict(d={}) :classmethod: Load the class from a dictionary. .. py:property:: reduced_formula Get reduced formula. .. py:property:: formula Get total chemical formula. .. py:property:: atomic_fraction Get atomic fraction. .. py:property:: atomic_fraction_array Get atomic fraction array. .. py:property:: weight Get atomic weight. .. py:method:: __repr__() Representation of the class.