Source code for intermol.forces.fene_expandable_bond_type

import simtk.unit as units

from intermol.decorators import accepts_compatible_units
from abstract_bond_type import AbstractBondType


[docs]class FeneExpandableBondType(AbstractBondType): __slots__ = ['k', 'length', 'epsilon', 'sigma', 'delta', 'order', 'c'] @accepts_compatible_units(None, None, k=units.kilojoules_per_mole * units.nanometers ** (-2), length=units.nanometers, epsilon=units.kilojoules_per_mole, sigma=units.nanometers, delta=units.nanometers, order=None, c=None) def __init__(self, bondingtype1, bondingtype2, k=0.0 * units.kilojoules_per_mole * units.nanometers ** (-2), length=0.0 * units.nanometers, epsilon=0.0 * units.kilojoules_per_mole, sigma=0.0 * units.nanometers, delta=0.0 * units.nanometers, order=1, c=False): AbstractBondType.__init__(self, bondingtype1, bondingtype2, order, c) self.k = k self.length = length self.epsilon = epsilon self.sigma = sigma self.delta = delta
[docs]class FeneExpandableBond(FeneExpandableBondType): """ stub documentation """ def __init__(self, atom1, atom2, bondingtype1=None, bondingtype2=None, k=0.0 * units.kilojoules_per_mole * units.nanometers ** (-2), length=0.0 * units.nanometers, epsilon=0.0 * units.kilojoules_per_mole, sigma=0.0 * units.nanometers, delta=0.0 * units.nanometers, order=1, c=False): self.atom1 = atom1 self.atom2 = atom2 FeneExpandableBondType.__init__(self, bondingtype1, bondingtype2, k=k, length=length, epsilon=epsilon, sigma=sigma, delta=delta, order=order, c=c)