finger_oxi_Pool2-checkpoint



In [1]:
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]


/usr/local/lib/python2.7/site-packages/matplotlib/font_manager.py:273: UserWarning: Matplotlib is building the font cache using fc-list. This may take a moment.
  warnings.warn('Matplotlib is building the font cache using fc-list. This may take a moment.')

In [2]:
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=3680
lim2=7360
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[2]:
(3680, 100)

In [3]:
lim1=11041
lim2=14722
finger_part4=np.array([phi_getter(structs_lim_50[lim1+i],ox_lim_50[lim1+i]) for i in tqdm.tqdm_notebook(range(lim2-lim1))])

finger_part4.shape



Out[3]:
(3681, 100)

In [5]:
np.savetxt("oxi_finger_part2.npz",finger_part)

np.savetxt("oxi_finger_part4.npz",finger_part4)

In [ ]: