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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-12-23 04:43:40 +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 sqlite3
import re import re
import sys import sys, os
debug=True
class EMSL_dump: class EMSL_dump:
@ -26,7 +27,20 @@ class EMSL_dump:
"""Download the source code of the iframe who contains the list of the basis set available""" """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" url = "https://bse.pnl.gov/bse/portal/user/anon/js_peid/11535052407933/panel/Main/template/content"
page = self.requests.get(url).text 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" print "Done"
@ -104,24 +118,51 @@ class EMSL_dump:
c.execute('''CREATE TABLE all_value c.execute('''CREATE TABLE all_value
(name text, description text, elt text, data text)''') (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) 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: try:
basis_data = self.basis_data_row_to_array( basis_data = self.basis_data_row_to_array(
basis_raw, name, des, elts) basis_raw, name, des, elts)
c.executemany( c.executemany(
"INSERT INTO all_value VALUES (?,?,?,?)", basis_data) "INSERT INTO all_value VALUES (?,?,?,?)", basis_data)
conn.commit() conn.commit()
print "Done" print i, name
except: except:
print name, url, des, elts
pass pass
conn.close() conn.close()
q_in.join()
q_out.join()
def new_db(self): def new_db(self):
"""Create new_db from scratch""" """Create new_db from scratch"""