Finger_oxi_Pool1-checkpoint



In [ ]:
import fingerprint as fp
struct_all=s_all=fp.read_pickle("../data/struct_all.pickle")

structs_lim_50=[x for x in struct_all if len(x.species)<50]

ox=fp.read_pickle("../data/val_all.pickle")


ox_lim_50=[x for x in ox if len(x)<50]

In [5]:
len(ox_lim_50),len(structs_lim_50)


Out[5]:
(14722, 14722)

In [11]:
import tqdm
import numpy as np
def phi_getter(i,ox_i):
    return fp.get_phi_scaled(i,obser='oxi',oxi_val=ox_i)
    
    



reload(fp)
lim1=0
lim2=3680
finger_part=np.array([phi_getter(structs_lim_50[lim1+i],ox_lim_50[lim1+i]) for i in tqdm.tqdm_notebook(range(lim2-lim1))])

finger_part.shape



Out[11]:
(3680, 100)

In [12]:
lim1=7360
lim2=11041
finger_part3=np.array([phi_getter(structs_lim_50[lim1+i],ox_lim_50[lim1+i]) for i in tqdm.tqdm_notebook(range(lim2-lim1))])

finger_part3.shape



Out[12]:
(3681, 100)

In [13]:
np.savetxt("oxi_finger_part1.npz",finger_part)

np.savetxt("oxi_finger_part3.npz",finger_part3)

In [14]:
finger1=np.loadtxt("oxi_finger_part1.npz")
finger2=np.loadtxt("oxi_finger_part2.npz")
finger3=np.loadtxt("oxi_finger_part3.npz")
finger4=np.loadtxt("oxi_finger_part4.npz")

In [16]:
finger=np.vstack((finger1,finger2,finger3,finger4))
finger.shape


Out[16]:
(14722, 100)

In [17]:
np.savetxt('../data/finger_oxi.npz',finger)

In [20]:
finger_oxi=np.loadtxt("../data/finger_oxi.npz")

In [21]:
finger.shape


Out[21]:
(14722, 100)

In [22]:
finger_other=np.loadtxt("../data/finger_all.npz")

In [23]:
finger_other.shape


Out[23]:
(14722, 300)

In [24]:
finger_all=np.hstack((finger_other,finger_oxi))

In [25]:
finger_all.shape


Out[25]:
(14722, 400)

In [26]:
np.savetxt('../data/finger_all.npz',finger_all)

In [ ]: