hikari.utility.chem_tools

This file contains all constants and functions containing purely chemical information / methods used in the package.

Attributes

chemical_elements

Tuple containing 2-letter symbols of the first 118 chemical elements.

Functions

split_atom_label(label)

Split atomic label used in ref or cif formats into computer-readable parts.

Module Contents

hikari.utility.chem_tools.chemical_elements = ('H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl',...

Tuple containing 2-letter symbols of the first 118 chemical elements.

hikari.utility.chem_tools.split_atom_label(label)

Split atomic label used in ref or cif formats into computer-readable parts. :param label: Short atomic label such as “C12A” or “Fe1”. :type label: str :return: 3-element tuple with element, number, and suffix, as str. :rtype: tuple