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.