import simtk.unit as units
from intermol.decorators import accepts_compatible_units
from abstract_pair_type import AbstractPairType
[docs]class LjqSigepsPairType(AbstractPairType):
__slots__ = ['qi', 'qj', 'sigma', 'epsilon', 'scaleLJ', 'scaleQQ', 'long']
@accepts_compatible_units(None, None,
qi=units.elementary_charge,
qj=units.elementary_charge,
sigma=units.nanometers,
epsilon=units.kilojoules_per_mole,
scaleLJ=None,
scaleQQ=None,
long=None)
def __init__(self, bondingtype1, bondingtype2,
qi=0.0 * units.elementary_charge,
qj=0.0 * units.elementary_charge,
sigma=0.0 * units.nanometers,
epsilon=0.0 * units.kilojoules_per_mole,
scaleLJ=None, scaleQQ=None, long=False):
AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long)
self.qi = qi
self.qj = qj
self.sigma = sigma
self.epsilon = epsilon
[docs]class LjqSigepsPair(LjqSigepsPairType):
"""
stub documentation
"""
def __init__(self, atom1, atom2, bondingtype1=None, bondingtype2=None,
qi=0.0 * units.elementary_charge,
qj=0.0 * units.elementary_charge,
sigma=0.0 * units.nanometers,
epsilon=0.0 * units.kilojoules_per_mole,
scaleLJ=None, scaleQQ=None, long=False):
self.atom1 = atom1
self.atom2 = atom2
LjqSigepsPairType.__init__(self, bondingtype1, bondingtype2,
qi=qi,
qj=qj,
sigma=sigma,
epsilon=epsilon,
scaleLJ=scaleLJ, scaleQQ=scaleQQ, long=long)