def _mean_f(f,energy_list_arr,q_interp): means = [] for i, energy_list in enumerate(energy_list_arr): _, splines = RetinalUtil.interpolating_G0(energy_list, f=f) mean, _ = PlotUtil._mean_and_stdev_landcapes(splines, q_interp) means.append(mean) return means
def _get_error_landscapes(q_interp, energy_list_arr, **kw): landscpes_with_error = [] for i, energy_list in enumerate(energy_list_arr): _, splines = RetinalUtil.interpolating_G0(energy_list) beta = energy_list[0].beta mean, stdev = PlotUtil._mean_and_stdev_landcapes(splines, q_interp) mean -= min(mean) l = LandscapeWithError(q_nm=q_interp, G_kcal=mean, G_err_kcal=stdev, beta=beta) landscpes_with_error.append(l) return landscpes_with_error