import simtk.unit as units
from intermol.decorators import accepts_compatible_units
from abstract_bond_type import AbstractBondType
[docs]class MorseBondType(AbstractBondType):
__slots__ = ['length', 'D', 'beta', 'order', 'c']
@accepts_compatible_units(None, None,
length=units.nanometers,
D=units.kilojoules_per_mole,
beta=units.nanometers ** (-1),
order=None,
c=None)
def __init__(self, bondingtype1, bondingtype2,
length=0.0 * units.nanometers,
D=0.0 * units.kilojoules_per_mole,
beta=0.0 * units.nanometers ** (-1),
order=1, c=False):
AbstractBondType.__init__(self, bondingtype1, bondingtype2, order, c)
self.length = length
self.D = D
self.beta = beta
[docs]class MorseBond(MorseBondType):
"""
stub documentation
"""
def __init__(self, atom1, atom2, bondingtype1=None, bondingtype2=None,
length=0.0 * units.nanometers,
D=0.0 * units.kilojoules_per_mole,
beta=0.0 * units.nanometers ** (-1),
order=1, c=False):
self.atom1 = atom1
self.atom2 = atom2
MorseBondType.__init__(self, bondingtype1, bondingtype2,
length=length,
D=D,
beta=beta,
order=order, c=c)