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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-11-03 20:53:50 +01:00
This commit is contained in:
Anthony Scemama 2014-11-12 16:29:11 +01:00
parent b6a02bcd20
commit 196515591e

View File

@ -2,8 +2,9 @@
import sqlite3
import re
import sys
import sys, os
debug=True
class EMSL_dump:
@ -26,6 +27,19 @@ class EMSL_dump:
"""Download the source code of the iframe who contains the list of the basis set available"""
url = "https://bse.pnl.gov/bse/portal/user/anon/js_peid/11535052407933/panel/Main/template/content"
if debug:
import cPickle as pickle
dbcache = 'db/cache'
if not os.path.isfile(dbcache):
page = self.requests.get(url).text
file=open(dbcache,'w')
pickle.dump(page,file)
else:
file=open(dbcache,'r')
page = pickle.load(file)
file.close()
else:
page = self.requests.get(url).text
print "Done"
@ -104,24 +118,51 @@ class EMSL_dump:
c.execute('''CREATE TABLE all_value
(name text, description text, elt text, data text)''')
for i, [name, url, des, elts] in enumerate(list_basis_array):
import Queue
import threading
print i, [name, url, des, elts]
num_worker_threads=7
q_in = Queue.Queue(num_worker_threads)
q_out = Queue.Queue(num_worker_threads)
basis_raw = {}
def worker():
while True:
[name, url, des, elts] = q_in.get()
url = self.create_url(url, name, elts)
basis_raw = self.requests.get(url).text
q_out.put ( ([name, url, des, elts], self.requests.get(url).text) )
q_in.task_done()
def enqueue():
for [name, url, des, elts] in list_basis_array:
q_in.put( ([name, url, des, elts]) )
return 0
t = threading.Thread(target=enqueue)
t.daemon = True
t.start()
for i in range(num_worker_threads):
t = threading.Thread(target=worker)
t.daemon = True
t.start()
for i in range(len(list_basis_array)):
[name, url, des, elts], basis_raw = q_out.get()
try:
basis_data = self.basis_data_row_to_array(
basis_raw, name, des, elts)
c.executemany(
"INSERT INTO all_value VALUES (?,?,?,?)", basis_data)
conn.commit()
print "Done"
print i, name
except:
print name, url, des, elts
pass
conn.close()
q_in.join()
q_out.join()
def new_db(self):
"""Create new_db from scratch"""