Пример #1
0
def buildPdf(condi_dist_fn, sub_path):
    h5_path = 'all_decoy.h5'
    
    ener_matx = loadEnerMatx(h5_path, sub_path)
    
    condi_dist = nb.getConditionalDist(ener_matx, dist_names)
    nb.saveCondiDistribution(condi_dist, condi_dist_fn)

    print condi_dist
Пример #2
0
        return f[mcc_diff_path][()]
        
        
        
if __name__ == "__main__":
    ################################################################################
    # print plain text file
    # nb_ff = NB_ff('04ff_all_decoy.h5')
    # nb_ff.printEner()
    # nb_ff = NB_ff('08ff_all_decoy.h5')
    # nb_ff.printEner()
    # nb_ff = NB_ff('06ff_all_decoy.h5')
    # nb_ff.printEner()

    ################################################################################
    # build pdf
    import sys
    # matrix_fn = sys.argv[1]
    matrix_fn = '08ff_high_decoy.mat'
    # matrix_fn = '04ff_low_decoy.mat'

    condi_dist_fn = matrix_fn.split('.')[0] + '.dist'
    matrix = np.loadtxt(matrix_fn, delimiter=' ')
    condi_dist = nb.getConditionalDist(matrix, dist_names)
    nb.saveCondiDistribution(condi_dist, condi_dist_fn)
    condi_dist = nb.loadCondiDistribution(condi_dist_fn)
    print condi_dist