Source code for intermol.forces.quartic_bond_type

import simtk.unit as units

from intermol.decorators import accepts_compatible_units
from abstract_bond_type import AbstractBondType


[docs]class QuarticBondType(AbstractBondType): __slots__ = ['length', 'C2', 'C3', 'C4', 'order', 'c'] @accepts_compatible_units(None, None, length=units.nanometers, C2=units.kilojoules_per_mole * units.nanometers ** (-2), C3=units.kilojoules_per_mole * units.nanometers ** (-3), C4=units.kilojoules_per_mole * units.nanometers ** (-4), order=None, c=None) def __init__(self, bondingtype1, bondingtype2, length=0.0 * units.nanometers, C2=0.0 * units.kilojoules_per_mole * units.nanometers ** (-2), C3=0.0 * units.kilojoules_per_mole * units.nanometers ** (-3), C4=0.0 * units.kilojoules_per_mole * units.nanometers ** (-4), order=1, c=False): AbstractBondType.__init__(self, bondingtype1, bondingtype2, order, c) self.length = length self.C2 = C2 self.C3 = C3 self.C4 = C4
[docs]class QuarticBond(QuarticBondType): """ stub documentation """ def __init__(self, atom1, atom2, bondingtype1=None, bondingtype2=None, length=0.0 * units.nanometers, C2=0.0 * units.kilojoules_per_mole * units.nanometers ** (-2), C3=0.0 * units.kilojoules_per_mole * units.nanometers ** (-3), C4=0.0 * units.kilojoules_per_mole * units.nanometers ** (-4), order=1, c=False): self.atom1 = atom1 self.atom2 = atom2 QuarticBondType.__init__(self, bondingtype1, bondingtype2, length=length, C2=C2, C3=C3, C4=C4, order=order, c=c)