import pubchempy as pup
import os
import time
element = []
files =os.listdir("./babel")
element_z = [f for f in files if os.path.isfile(os.path.join("./babel", f))]
for i in element_z:
a=i.replace(".com","")
print(a)
element.append(a)
req = ["MolecularFormula","inchi"]
for j in element:
out = pup.get_properties(req,j,'name')
print(out)
try:
fname = "./bunshi2/" + j + ".txt"
with open(fname,"w") as e:
e.write(out[0].get("MolecularFormula"))
e.write("\n")
e.write(out[0].get("InChI"))
time.sleep(1)
except:
fname = "./bunshi2/" + j + "__error__.txt"
with open(fname,"w") as e:
e.write("ERROR!\nPlease check your self.")
time.sleep(1)