s18h024 revised this on 20 Jul 2021

Python 分子式抜き出し　改訂版

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)