ddd.py 文件源码

def get_ddd_by_energy(self, energy, points):
        """ TODO: documentation
        """
        try:
            from scipy import interpolate
        except ImportError as e:
            logger.error("Please install scipy to be able to use spline-based interpolation")
            raise e
        ev_point = np.array([points, [energy] * len(points)])
        return interpolate.griddata(self.points, self.ddd_list, np.transpose(ev_point), method='linear')