pdl.py 文件源码

def estimate_accuracy(yEv, yEv_calc, disp = False):
    """
    It was originally located in jchem. However now it is allocated here
    since the functionality is more inline with jutil than jchem. 
    """

    r_sqr = metrics.r2_score( yEv, yEv_calc)
    RMSE = np.sqrt( metrics.mean_squared_error( yEv, yEv_calc))
    MAE = metrics.mean_absolute_error( yEv, yEv_calc)
    DAE = metrics.median_absolute_error( yEv, yEv_calc)

    if disp:
        print("r^2={0:.2e}, RMSE={1:.2e}, MAE={2:.2e}, DAE={3:.2e}".format( r_sqr, RMSE, MAE, DAE))

    return r_sqr, RMSE, MAE, DAE