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rdkit/Projects/DbCLI/UnitTestDbCLI.py
Greg Landrum ab152a4ed1 Switch over to using pytest to run the python tests (#5916) 
* misc adaptations/modernizations
plus a few changes to allow pytest discovery

* get the recap unittests running

* pytest config updates

* all tests pass

* integrate the pytest stuff into ctest

* integrate Projects dir
better cmake integration

* ci build env updates

* ignore more files

* remove six.py

* cleanup UnitTestPandasTools

* cleanup pytest

* remove obsolete use of rdkit.six from doctests

* update release notes

* mysterious CI fix

* add conftest to remove some tests

* remove the old python-based testing infrastructure

---------

Co-authored-by: Ric <ricrogz@gmail.com>
2023-11-03 14:39:24 +01:00

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# $Id$
#
# Copyright (C) 2007 greg Landrum
#
# @@ All Rights Reserved @@
#
import os
import subprocess
import sys
import unittest
from rdkit import RDConfig
from rdkit.Dbase.DbConnection import DbConnect
import sys
import pytest
class TestCase(unittest.TestCase):
# pytest fixture to make sure we're working in the source dir
@pytest.fixture(autouse=True)
def change_test_dir(self, request, monkeypatch):
monkeypatch.chdir(request.fspath.dirname)
def test1Create(self):
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr',
'--molFormat=smiles', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertTrue(d[0][0] == 10)
conn = DbConnect('testData/bzr/AtomPairs.sqlt')
d = conn.GetData('atompairs', fields='count(*)')
self.assertTrue(d[0][0] == 10)
conn = DbConnect('testData/bzr/Descriptors.sqlt')
d = conn.GetData('descriptors_v1', fields='count(*)')
self.assertTrue(d[0][0] == 10)
conn = DbConnect('testData/bzr/Fingerprints.sqlt')
d = conn.GetData('rdkitfps', fields='count(*)')
self.assertTrue(d[0][0] == 10)
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr', '--molFormat=sdf',
'--doGobbi2D', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertTrue(d[0][0] == 163)
conn = DbConnect('testData/bzr/AtomPairs.sqlt')
d = conn.GetData('atompairs', fields='count(*)')
self.assertTrue(d[0][0] == 163)
conn = DbConnect('testData/bzr/Descriptors.sqlt')
d = conn.GetData('descriptors_v1', fields='count(*)')
self.assertTrue(d[0][0] == 163)
conn = DbConnect('testData/bzr/Fingerprints.sqlt')
d = conn.GetData('rdkitfps', fields='count(*)')
self.assertTrue(d[0][0] == 163)
def test2_1SearchFPs(self):
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
p = subprocess.Popen((sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--molFormat=sdf',
'--topN=5', '--outF=testData/bzr/search.out', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 163)
splitLs = [x.strip().split(',') for x in lines]
for line in splitLs:
lbl = line[0]
i = 1
nbrs = {}
lastVal = 1.0
while i < len(line):
nbrs[line[i]] = line[i + 1]
self.assertTrue(float(line[i + 1]) <= lastVal)
lastVal = float(line[i + 1])
i += 2
self.assertTrue(lbl in nbrs)
self.assertTrue(nbrs[lbl] == '1.000', nbrs[lbl])
os.unlink('testData/bzr/search.out')
def test2_2SearchAtomPairs(self):
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
p = subprocess.Popen(
(sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--molFormat=sdf', '--topN=5',
'--outF=testData/bzr/search.out', '--similarityType=AtomPairs', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 163)
splitLs = [x.strip().split(',') for x in lines]
for line in splitLs:
lbl = line[0]
i = 1
nbrs = {}
lastVal = 1.0
while i < len(line):
nbrs[line[i]] = line[i + 1]
self.assertTrue(float(line[i + 1]) <= lastVal)
lastVal = float(line[i + 1])
i += 2
self.assertTrue(lbl in nbrs)
self.assertTrue(nbrs[lbl] == '1.000')
os.unlink('testData/bzr/search.out')
def test2_3SearchTorsions(self):
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
p = subprocess.Popen((sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--molFormat=sdf',
'--topN=5', '--outF=testData/bzr/search.out',
'--similarityType=TopologicalTorsions', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 163)
splitLs = [x.strip().split(',') for x in lines]
for line in splitLs:
lbl = line[0]
i = 1
nbrs = {}
lastVal = 1.0
while i < len(line):
nbrs[line[i]] = line[i + 1]
self.assertTrue(float(line[i + 1]) <= lastVal)
lastVal = float(line[i + 1])
i += 2
self.assertTrue(lbl in nbrs)
self.assertTrue(nbrs[lbl] == '1.000')
os.unlink('testData/bzr/search.out')
def test2_4SearchProps(self):
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
p = subprocess.Popen((sys.executable, 'SearchDb.py', '--dbDir=testData/bzr',
'--outF=testData/bzr/search.out', '--query=activity<6.5'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 30)
os.unlink('testData/bzr/search.out')
p = subprocess.Popen((sys.executable, 'SearchDb.py', '--dbDir=testData/bzr',
'--outF=testData/bzr/search.out', '--query=activity<6.5'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 30)
os.unlink('testData/bzr/search.out')
def test2_5SearchSmarts(self):
p = subprocess.Popen((
sys.executable,
'SearchDb.py',
'--dbDir=testData/bzr',
'--outF=testData/bzr/search.out',
'--smarts=cncncc',
))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertEqual(len(lines), 49)
os.unlink('testData/bzr/search.out')
if os.path.exists('/dev/null'):
p = subprocess.Popen((
sys.executable,
'SearchDb.py',
'--dbDir=testData/bzr',
'--outF=/dev/null',
'--smilesOut=testData/bzr/search.out',
'--smarts=cncncc',
))
else:
p = subprocess.Popen((
sys.executable,
'SearchDb.py',
'--dbDir=testData/bzr',
'--outF=testData/crud.out',
'--smilesOut=testData/bzr/search.out',
'--smarts=cncncc',
))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertEqual(len(lines), 49)
os.unlink('testData/bzr/search.out')
if os.path.exists('testData/crud.out'):
os.unlink('testData/crud.out')
p = subprocess.Popen((
sys.executable,
'SearchDb.py',
'--dbDir=testData/bzr',
'--outF=testData/bzr/search.out',
'--negate',
'--smarts=cncncc',
))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertEqual(len(lines), 114)
os.unlink('testData/bzr/search.out')
def test2_6SearchBoth(self):
p = subprocess.Popen(
(sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--outF=testData/bzr/search.out',
'--query=activity<6.5', '--smarts=cncncc'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertEqual(len(lines), 5)
os.unlink('testData/bzr/search.out')
p = subprocess.Popen(
(sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--outF=testData/bzr/search.out',
'--query=activity<6.5', '--smarts=cncncc', '--negate'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertEqual(len(lines), 25)
os.unlink('testData/bzr/search.out')
def test2_7SearchGobbi(self):
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
p = subprocess.Popen(
(sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--molFormat=sdf', '--topN=5',
'--outF=testData/bzr/search.out', '--similarityType=Gobbi2D', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 163)
splitLs = [x.strip().split(',') for x in lines]
for line in splitLs:
lbl = line[0]
i = 1
nbrs = {}
lastVal = 1.0
while i < len(line):
nbrs[line[i]] = line[i + 1]
self.assertTrue(float(line[i + 1]) <= lastVal)
lastVal = float(line[i + 1])
i += 2
self.assertTrue(lbl in nbrs)
self.assertTrue(nbrs[lbl] == '1.000')
self.assertEqual(splitLs[0][0], 'Adinazolam')
self.assertEqual(splitLs[0][3], 'alpha-hydroxytriazolam')
self.assertEqual(splitLs[0][4], '0.631')
os.unlink('testData/bzr/search.out')
def test2_8SearchThresh(self):
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
p = subprocess.Popen(
(sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--molFormat=sdf', '--simThresh=0.7',
'--outF=testData/bzr/search.out', 'testData/bzr_q1.mol'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertTrue(len(lines) == 1)
splitL = lines[0].strip().split(',')
splitL.pop(0)
for i in range(0, len(splitL), 2):
v = float(splitL[i + 1])
self.assertTrue(v > 0.7)
os.unlink('testData/bzr/search.out')
def test4CreateOptions(self):
if os.path.exists('testData/bzr/Compounds.sqlt'):
os.unlink('testData/bzr/Compounds.sqlt')
if os.path.exists('testData/bzr/AtomPairs.sqlt'):
os.unlink('testData/bzr/AtomPairs.sqlt')
if os.path.exists('testData/bzr/Descriptors.sqlt'):
os.unlink('testData/bzr/Descriptors.sqlt')
if os.path.exists('testData/bzr/Fingerprints.sqlt'):
os.unlink('testData/bzr/Fingerprints.sqlt')
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr',
'--molFormat=smiles', '--noExtras', '--noSmiles', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertEqual(d[0][0], 10)
d = conn.GetData('molecules', fields='*')
self.assertEqual(len(d), 10)
cns = [x.lower() for x in d.GetColumnNames()]
self.assertFalse('smiles' in cns)
conn = None
d = None
if os.path.exists('testData/bzr/Compounds.sqlt'):
os.unlink('testData/bzr/Compounds.sqlt')
if os.path.exists('testData/bzr/AtomPairs.sqlt'):
os.unlink('testData/bzr/AtomPairs.sqlt')
if os.path.exists('testData/bzr/Descriptors.sqlt'):
os.unlink('testData/bzr/Descriptors.sqlt')
if os.path.exists('testData/bzr/Fingerprints.sqlt'):
os.unlink('testData/bzr/Fingerprints.sqlt')
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr',
'--molFormat=smiles', '--noSmiles', '--noFingerprints', '--noLayeredFps',
'--noMorganFps', '--noPairs', '--noDescriptors', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertTrue(d[0][0] == 10)
d = conn.GetData('molecules', fields='*')
self.assertTrue(len(d) == 10)
cns = [x.lower() for x in d.GetColumnNames()]
self.assertFalse('smiles' in cns)
d = None
conn.KillCursor()
conn = None
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr',
'--molFormat=smiles', '--noProps', '--noFingerprints', '--noLayeredFps',
'--noMorganFps', '--noPairs', '--noDescriptors', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertEqual(d[0][0], 10)
d = conn.GetData('molecules', fields='*')
self.assertEqual(len(d), 10)
cns = [x.lower() for x in d.GetColumnNames()]
self.assertTrue('smiles' in cns)
d = None
conn.KillCursor()
conn = None
p = subprocess.Popen(
(sys.executable, 'CreateDb.py', '--dbDir=testData/bzr', '--molFormat=smiles',
'--noFingerprints', '--noLayeredFps', '--noMorganFps', '--noPairs', '--noDescriptors',
'--maxRowsCached=4', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertEqual(d[0][0], 10)
d = conn.GetData('molecules', fields='*')
self.assertEqual(len(d), 10)
cns = [x.lower() for x in d.GetColumnNames()]
self.assertTrue('smiles' in cns)
d = None
conn.KillCursor()
conn = None
p = subprocess.Popen(
(sys.executable, 'CreateDb.py', '--dbDir=testData/bzr', '--molFormat=smiles',
'--noFingerprints', '--noPairs', '--noDescriptors', '--maxRowsCached=4', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertFalse(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
def test5TestBackwardsCompat(self):
if os.path.exists('testData/bzr/Compounds.sqlt'):
os.unlink('testData/bzr/Compounds.sqlt')
if os.path.exists('testData/bzr/AtomPairs.sqlt'):
os.unlink('testData/bzr/AtomPairs.sqlt')
if os.path.exists('testData/bzr/Descriptors.sqlt'):
os.unlink('testData/bzr/Descriptors.sqlt')
if os.path.exists('testData/bzr/Fingerprints.sqlt'):
os.unlink('testData/bzr/Fingerprints.sqlt')
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr', '--noFingerprints',
'--noDescriptors', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
conn = DbConnect('testData/bzr/AtomPairs.sqlt')
curs = conn.GetCursor()
curs.execute('create table tmp as select compound_id,atompairfp,torsionfp from atompairs')
p = subprocess.Popen((sys.executable, 'SearchDb.py', '--dbDir=testData/bzr', '--molFormat=sdf',
'--topN=5', '--outF=testData/bzr/search.out',
'--similarityType=AtomPairs', '--pairTableName=tmp', 'testData/bzr.sdf'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/search.out'))
with open('testData/bzr/search.out', 'r') as inF:
lines = inF.readlines()
self.assertEqual(len(lines), 163)
splitLs = [x.strip().split(',') for x in lines]
for line in splitLs:
lbl = line[0]
i = 1
nbrs = {}
lastVal = 1.0
while i < len(line):
nbrs[line[i]] = line[i + 1]
self.assertTrue(float(line[i + 1]) <= lastVal)
lastVal = float(line[i + 1])
i += 2
self.assertTrue(lbl in nbrs)
self.assertTrue(nbrs[lbl] == '1.000')
os.unlink('testData/bzr/search.out')
def test6Update(self):
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr',
'--molFormat=smiles', 'testData/bzr.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertEqual(d[0][0], 10)
conn = DbConnect('testData/bzr/AtomPairs.sqlt')
d = conn.GetData('atompairs', fields='count(*)')
self.assertEqual(d[0][0], 10)
conn = DbConnect('testData/bzr/Descriptors.sqlt')
d = conn.GetData('descriptors_v1', fields='count(*)')
self.assertEqual(d[0][0], 10)
conn = DbConnect('testData/bzr/Fingerprints.sqlt')
d = conn.GetData('rdkitfps', fields='count(*)')
self.assertEqual(d[0][0], 10)
d = None
conn.KillCursor()
p = subprocess.Popen((sys.executable, 'CreateDb.py', '--dbDir=testData/bzr',
'--molFormat=smiles', '--updateDb', 'testData/bzr.2.smi'))
res = p.wait()
self.assertFalse(res)
p = None
self.assertTrue(os.path.exists('testData/bzr/Compounds.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/AtomPairs.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Descriptors.sqlt'))
self.assertTrue(os.path.exists('testData/bzr/Fingerprints.sqlt'))
conn = DbConnect('testData/bzr/Compounds.sqlt')
d = conn.GetData('molecules', fields='count(*)')
self.assertEqual(d[0][0], 20)
conn = DbConnect('testData/bzr/AtomPairs.sqlt')
d = conn.GetData('atompairs', fields='count(*)')
self.assertEqual(d[0][0], 20)
conn = DbConnect('testData/bzr/Descriptors.sqlt')
d = conn.GetData('descriptors_v1', fields='count(*)')
self.assertEqual(d[0][0], 20)
conn = DbConnect('testData/bzr/Fingerprints.sqlt')
d = conn.GetData('rdkitfps', fields='count(*)')
self.assertEqual(d[0][0], 20)
if __name__ == '__main__':
unittest.main()
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