Source code for intermol.forces.abstract_bond_type
from abstract_type import AbstractType
[docs]class AbstractBondType(AbstractType):
__slots__ = ['bondingtype1', 'bondingtype2', 'order', 'c']
def __init__(self, bondingtype1, bondingtype2, order=1, c=False):
super(AbstractBondType, self).__init__()
self.bondingtype1 = bondingtype1
self.bondingtype2 = bondingtype2
self.order = order # Bond order. Desmond only.
self.c = c # Is the bond constrained or not? Desmond only.