from abstract_type import AbstractType
[docs]class AbstractAtomType(AbstractType):
__slots__ = ['atomtype', 'bondtype', 'atomic_number', 'mass', 'charge', 'ptype']
def __init__(self, atomtype, bondtype=None, atomic_number=None, mass=None,
charge=None, ptype=None):
"""An abstract representation of a generic atom type.
Args:
atomtype (str): The type of the atom
bondingtype (str): The type of the bond the atom is involved in
atomic_number (int): The atomic number of the atom
mass (float): The mass of the atom in 'amu'
charge (float): The charge of the atom in 'elementary charge units'
ptype (str): The free energy state of the type
"""
super(AbstractAtomType, self).__init__()
self.atomtype = atomtype
self.bondtype = bondtype
self.atomic_number = atomic_number
self.mass = mass
self.charge = charge
self.ptype = ptype