minihf.molecule.atom module

class minihf.molecule.atom.Element(symbol=None, number=None)

Bases: object

Element class containing atomic properties

class minihf.molecule.atom.Atom(element, coords)

Bases: object

assign_coords(coords)

Assign coordinates to the atom

Parameters:

coords (list) – [x, y, z] coordinates

Raises:

• TypeError – If coords is not a list

• ValueError – If coords length is not 3