import simtk.unit as units
from intermol.decorators import accepts_compatible_units
from abstract_dihedral_type import AbstractDihedralType
[docs]class RbDihedralType(AbstractDihedralType):
__slots__ = ['C0', 'C1', 'C2', 'C3', 'C4', 'C5', 'C6', 'improper']
@accepts_compatible_units(None, None, None, None,
C0=units.kilojoules_per_mole,
C1=units.kilojoules_per_mole,
C2=units.kilojoules_per_mole,
C3=units.kilojoules_per_mole,
C4=units.kilojoules_per_mole,
C5=units.kilojoules_per_mole,
C6=units.kilojoules_per_mole,
improper=None)
def __init__(self, bondingtype1, bondingtype2, bondingtype3, bondingtype4,
C0=0.0 * units.kilojoules_per_mole,
C1=0.0 * units.kilojoules_per_mole,
C2=0.0 * units.kilojoules_per_mole,
C3=0.0 * units.kilojoules_per_mole,
C4=0.0 * units.kilojoules_per_mole,
C5=0.0 * units.kilojoules_per_mole,
C6=0.0 * units.kilojoules_per_mole,
improper=False):
AbstractDihedralType.__init__(self, bondingtype1, bondingtype2, bondingtype3, bondingtype4, improper)
self.C0 = C0
self.C1 = C1
self.C2 = C2
self.C3 = C3
self.C4 = C4
self.C5 = C5
self.C6 = C6
[docs]class RbDihedral(RbDihedralType):
"""
stub documentation
"""
def __init__(self, atom1, atom2, atom3, atom4, bondingtype1=None, bondingtype2=None, bondingtype3=None, bondingtype4=None,
C0=0.0 * units.kilojoules_per_mole,
C1=0.0 * units.kilojoules_per_mole,
C2=0.0 * units.kilojoules_per_mole,
C3=0.0 * units.kilojoules_per_mole,
C4=0.0 * units.kilojoules_per_mole,
C5=0.0 * units.kilojoules_per_mole,
C6=0.0 * units.kilojoules_per_mole,
improper=False):
self.atom1 = atom1
self.atom2 = atom2
self.atom3 = atom3
self.atom4 = atom4
RbDihedralType.__init__(self, bondingtype1, bondingtype2, bondingtype3, bondingtype4,
C0=C0,
C1=C1,
C2=C2,
C3=C3,
C4=C4,
C5=C5,
C6=C6,
improper=improper)