def __init__(self, parm): _TypeList.__init__(self, parm) self.degree = parm.parm_data['AMOEBA_REGULAR_ANGLE_FTAB_DEGREE'][0] self.coeffs = parm.parm_data['AMOEBA_REGULAR_ANGLE_FTAB_COEFFS'][:] if len(self.coeffs) != self.degree + 1: raise AmoebaError('Angle degree (%d) does not make sense with %d ' 'coefficients.' % (self.degree, len(self.coeffs)))
def __init__(self, parm): _TypeList.__init__(self, parm) self.degree = parm.parm_data['AMOEBA_UREY_BRADLEY_BOND_FTAB_DEGREE'][0] self.coeffs = parm.parm_data['AMOEBA_UREY_BRADLEY_BOND_FTAB_COEFFS'][:] if len(self.coeffs) != self.degree + 1: raise AmoebaError('Urey-Bradley degree (%d) does not make sense ' 'with %d coefficients.' % (self.degree, len(self.coeffs)))