Remove a bunch of Python2-related warts (#2315)

* remove all of the "from __future__" imports

* remove the first batch of rdkit.six imports/uses

* next step of rdkit.six removal

* removing xrange, range, and some maps

* next round of removals

* next round of cleanups

* fix inchi test

* last bits of "from rdkit.six" are gone

* and the last of the six stuff is gone

* strange importlib problem
This commit is contained in:
Greg Landrum
2019-03-07 02:43:49 +01:00
committed by Brian Kelley
parent 84c1ea5e7a
commit 24f1737839
296 changed files with 15501 additions and 15517 deletions

View File

@@ -1,4 +1,4 @@
from __future__ import print_function
import pyRXP
import sys

View File

@@ -5,7 +5,7 @@
# which is included in the file license.txt, found at the root
# of the RDKit source tree.
#
from __future__ import print_function
import unittest, os, csv
from rdkit import Chem, RDConfig

View File

@@ -1,8 +1,8 @@
from __future__ import print_function
from rdkit import Chem
from rdkit import RDConfig
import time, sys, gzip
from rdkit.six.moves import cPickle
import pickle
from rdkit.RDLogger import logger
logger = logger()
@@ -21,11 +21,11 @@ for line in file(RDConfig.RDDataDir + '/SmartsLib/RLewis_smarts.txt', 'r').readl
qs.append(p)
logger.info('reading target counts')
refFps = cPickle.loads(gzip.open('fps.1000.counts.pkl.gz', 'rb').read())
refFps = pickle.loads(gzip.open('fps.1000.counts.pkl.gz', 'rb').read())
fps = []
logger.info('reading mols:')
ms = cPickle.loads(gzip.open('mols.1000.pkl.gz', 'rb').read())
ms = pickle.loads(gzip.open('mols.1000.pkl.gz', 'rb').read())
t1 = time.time()
nFail = 0
for i, m in enumerate(ms):
@@ -44,7 +44,7 @@ for i, m in enumerate(ms):
t2 = time.time()
print('%.2f' % (t2 - t1))
#cPickle.dump(fps,file('fps.1000.counts.pkl','wb+'))
#pickle.dump(fps,file('fps.1000.counts.pkl','wb+'))
nFail = 0
for i, fp in enumerate(fps):
if fp != refFps[i]: