sample_gen.py 文件源码

def autoencoder(args, model):
    latent_dim = args.latent_dim

    structures = read_smiles_data(args.data)

    datobj = SmilesDataGenerator(structures, 120)
    train_gen = datobj.generator(1)

    if os.path.isfile(args.model):
        model.load(datobj.chars, args.model, latent_rep_size = latent_dim)
    else:
        raise ValueError("Model file %s doesn't exist" % args.model)

    true_pred_gen = (((mat, weight, model.autoencoder.predict(mat))
                      for (mat, _, weight) in train_gen))
    text_gen = ((str.join('\n',
                          [str((datobj.table.decode(true_mat[vec_ix])[:np.argmin(weight[vec_ix])],
                                datobj.table.decode(vec)[:]))
                           for (vec_ix, vec) in enumerate(pred_mat)]))
                for (true_mat, weight, pred_mat) in true_pred_gen)
    for _ in range(args.sample):
        print(text_gen.next())