API

The atomic universe contains numerous data frames of potentially related information (the three types of DataFrames used are inherited from exa's base data frame classes, see exa-analytics/exa Wiki). Here is a layout of how this new organizational structure applies to the atomic package:

Concept	status	class	type	index	foreign keys	attributes
frame	public	Frame	DataFrame	frame	-	atom_count
atom	public	Atom	DataFrame	atom	frame	x, y, z, symbol, label
unitatom	private	UnitAtom	Updater	atom	-	x, y, z
superatom	private	SuperAtom	DataFrame	satom	frame, atom	x, y, z, symbol
vizatom	private	VizAtom	Updater	atom	-	x, y, z
two	public	TwoBody	DataFrame	two	frame	distance, bond, symbols
supertwo	private	SuperTwo	DataFrame	stwo	-	distance, bond, symbols
_atomtwo	private	AtomTwo	ManyToMany	-	atom, two	-
orbital	public	Orbital	DataFrame	orbital	frame	occupation, energy

All the atomic.Universe properties' classes are of type exa.DataFrame and should be the data frames of interest in an atomic universe. The following data frames will be primarily private API used under the covers for computation and relational information between public data frames.