Atom

class Atom(atomic_number, charge, max_valence)[source]

Bases: object

An atom of a molecule.

Parameters:
  • atomic_number (int) – The atomic number of the atom.
  • charge (int) – The formal charge of the atom.
  • max_valence (int) – The maximum valence the atom is allowed to have.

Methods

get_atomic_number() Return the atomic number of the atom.
get_charge() Return the formal charge of the atom.
get_max_valence() Return the maximum valence the atom is allowed to have.
get_atomic_number()[source]

Return the atomic number of the atom.

Returns:The atomic number of the atom.
Return type:int
get_charge()[source]

Return the formal charge of the atom.

Returns:The formal charge of the atom.
Return type:int
get_max_valence()[source]

Return the maximum valence the atom is allowed to have.

Returns:The maximum valence the atom is allowed to have.
Return type:int