now all tests pass here as well

Code/ChemicalFeatures/Wrap/testData/feat.pkl

@@ -1,4 +1,4 @@
-cChem.rdChemicalFeatures
+crdkit.Chem.rdChemicalFeatures
 FreeChemicalFeature
 p1
 (S'\x10\x00\x00\x00\x0b\x00\x00\x00HBondDonor\x00\x0c\x00\x00\x00HBondDonor1\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00@\x00\x00\x00\x00\x00\x00\x08@'

Code/ChemicalFeatures/Wrap/testFeatures.py

@@ -4,13 +4,13 @@
 #
 #  @@ All Rights Reserved @@
 #
-import RDConfig
+from rdkit import RDConfig
 import os
-import Chem
-from Chem import ChemicalFeatures
+from rdkit import Chem
+from rdkit.Chem import ChemicalFeatures
 import unittest
 import cPickle
-from Geometry import rdGeometry as geom
+from rdkit.Geometry import rdGeometry as geom
 
 def feq(v1,v2,tol2=1e-4):
   return abs(v1-v2)<=tol2

Code/ChemicalFeatures/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/ChemicalFeatures/test_list.py

@@ -7,6 +7,6 @@ tests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py

@@ -1,9 +1,9 @@
-import RDConfig
+from rdkit import RDConfig
 import unittest
-from DataManip.Metric import rdMetricMatrixCalc as rdmmc
+from rdkit.DataManip.Metric import rdMetricMatrixCalc as rdmmc
 import numpy
 import random
-import DataStructs
+from rdkit import DataStructs
 
 def feq(v1,v2,tol2=1e-4):
     return abs(v1-v2)<=tol2

Code/DataManip/MetricMatrixCalc/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/DataManip/MetricMatrixCalc/test_list.py

@@ -6,6 +6,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/DataStructs/Wrap/testBV.py

@@ -1,5 +1,5 @@
-import DataStructs
-import RDConfig
+from rdkit import DataStructs
+from rdkit import RDConfig
 import unittest
 import cPickle as pickle
 import random

Code/DataStructs/Wrap/testData/dvvs.pkl

@@ -1,24 +1,24 @@
-cDataStructs.cDataStructs
+crdkit.DataStructs.cDataStructs
 DiscreteValueVect
 p1
 (S'\xff\xff\xff\xff\x00\x00\x00\x00\x01\x00\x00\x00\x01\x00\x00\x00\x1e\x00\x00\x00\x01\x00\x00\x00UUU\x15'
 tRp2
-.cDataStructs.cDataStructs
+.crdkit.DataStructs.cDataStructs
 DiscreteValueVect
 p1
 (S'\xff\xff\xff\xff\x01\x00\x00\x00\x02\x00\x00\x00\x03\x00\x00\x00\x1e\x00\x00\x00\x02\x00\x00\x00\xe4\xe4\xe4\xe4\xe4\xe4\xe4\x04'
 tRp2
-.cDataStructs.cDataStructs
+.crdkit.DataStructs.cDataStructs
 DiscreteValueVect
 p1
 (S'\xff\xff\xff\xff\x02\x00\x00\x00\x04\x00\x00\x00\x0f\x00\x00\x00\x10\x00\x00\x00\x02\x00\x00\x00\x102Tv\x98\xba\xdc\xfe'
 tRp2
-.cDataStructs.cDataStructs
+.crdkit.DataStructs.cDataStructs
 DiscreteValueVect
 p1
 (S'\xff\xff\xff\xff\x03\x00\x00\x00\x08\x00\x00\x00\xff\x00\x00\x00\x05\x00\x00\x00\x02\x00\x00\x00"\xa7\x038\x80\x00\x00\x00'
 tRp2
-.cDataStructs.cDataStructs
+.crdkit.DataStructs.cDataStructs
 DiscreteValueVect
 p1
 (S'\xff\xff\xff\xff\x04\x00\x00\x00\x10\x00\x00\x00\xff\xff\x00\x00\x03\x00\x00\x00\x02\x00\x00\x00)\tB\xfc"\x00\x00\x00'

Code/DataStructs/Wrap/testData/isiv.pkl

@@ -1,4 +1,4 @@
-cDataStructs.cDataStructs
+crdkit.DataStructs.cDataStructs
 IntSparseIntVect
 p1
 (S'\x01\x00\x00\x00\x04\x00\x00\x00\x00\x00 \x00\x03\x00\x00\x00\x00\x00\x00\x00\x01\x00\x00\x00\x02\x00\x00\x00\x02\x00\x00\x00\x00\x10\x00\x00\x03\x00\x00\x00'

Code/DataStructs/Wrap/testData/lsiv.pkl

@@ -1,4 +1,4 @@
-cDataStructs.cDataStructs
+crdkit.DataStructs.cDataStructs
 LongSparseIntVect
 p1
 (S'\x01\x00\x00\x00\x08\x00\x00\x00\x00\x00\x00\x00\x00\x04\x00\x00\x03\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x01\x00\x00\x00\x02\x00\x00\x00\x00\x00\x00\x00\x02\x00\x00\x00\x00\x00\x00\x00\x08\x00\x00\x00\x03\x00\x00\x00'

Code/DataStructs/Wrap/testDiscreteValueVect.py

@@ -4,10 +4,10 @@
 #
 #  @@ All Rights Reserved @@
 #
-import RDConfig
+from rdkit import RDConfig
 import os,sys,cPickle
 import unittest
-import DataStructs as ds
+from rdkit import DataStructs as ds
 
 class TestCase(unittest.TestCase):
   def setUp(self) :

Code/DataStructs/Wrap/testSparseIntVect.py

@@ -4,10 +4,10 @@
 #
 #  @@ All Rights Reserved @@
 #
-import RDConfig
+from rdkit import RDConfig
 import os,sys,cPickle
 import unittest
-import DataStructs as ds
+from rdkit import DataStructs as ds
 
 def feq(v1,v2,tol=1e-4):
   return abs(v1-v2)<tol

Code/DataStructs/Wrap/test_list.py

@@ -10,7 +10,7 @@ tests=[
 longTests=[]
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))
 

Code/DataStructs/test_list.py

@@ -7,3 +7,8 @@ tests=[
 
 longTests=[]
 
+if __name__=='__main__':
+  import sys
+  from rdkit import TestRunner
+  failed,tests = TestRunner.RunScript('test_list.py',0,1)
+  sys.exit(len(failed))

Code/Demos/SWIG/java_example/test_list.py

@@ -16,6 +16,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/DistGeom/Wrap/rough_test.py

@@ -5,11 +5,11 @@
 #  Copyright (C) 2004  Rational Discovery LLC
 #         All Rights Reserved
 #
-import RDConfig
+from rdkit import RDConfig
 import os,sys
 import unittest
 import numpy.oldnumeric as Numeric
-import DistanceGeometry as DG
+from rdkit import DistanceGeometry as DG
 
 def feq(v1,v2,tol2=1e-4):
   return abs(v1-v2)<=tol2

Code/DistGeom/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/DistGeom/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Features/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/ForceField/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Geometry/Wrap/testGeometry.py

@@ -1,8 +1,8 @@
-import RDConfig
+from rdkit import RDConfig
 import os,sys
 import unittest
-import DataStructs
-from Geometry import rdGeometry as geom
+from rdkit import DataStructs
+from rdkit.Geometry import rdGeometry as geom
 import cPickle,copy
 import math
 

Code/Geometry/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Geometry/test_list.py

@@ -11,6 +11,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py

@@ -29,11 +29,11 @@
 # (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
 # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 #
-import rdBase
-import Chem
-from Chem import rdChemReactions
-import Geometry
-import RDConfig
+from rdkit import rdBase
+from rdkit import Chem
+from rdkit.Chem import rdChemReactions
+from rdkit import Geometry
+from rdkit import RDConfig
 import unittest
 import os,sys
 import cPickle as pickle

Code/GraphMol/ChemReactions/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/ChemReactions/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/ChemTransforms/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/Depictor/Wrap/testDepictor.py

@@ -3,14 +3,14 @@
 #
 #  $Id$
 #
-import Chem
-from Chem import rdDepictor
-import Geometry
-import RDConfig
+from rdkit import Chem
+from rdkit.Chem import rdDepictor
+from rdkit import Geometry
+from rdkit import RDConfig
 import unittest
 import os,sys
 import cPickle as pickle
-from Chem.ChemUtils import AlignDepict
+from rdkit.Chem.ChemUtils import AlignDepict
 import numpy.oldnumeric as Numeric
 
 def feq(v1,v2,tol2=1e-4):

Code/GraphMol/Depictor/Wrap/test_list.py

@@ -8,6 +8,6 @@ longTests = []
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/Depictor/test_list.py

@@ -7,6 +7,6 @@ longTests = []
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py

@@ -1,7 +1,7 @@
-import Chem
-from Chem import rdMolDescriptors as rdMD
-import DataStructs
-import RDConfig
+from rdkit import Chem
+from rdkit.Chem import rdMolDescriptors as rdMD
+from rdkit import DataStructs
+from rdkit import RDConfig
 import unittest
 
 def feq(v1, v2, tol=1.e-4) :

Code/GraphMol/Descriptors/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py

@@ -1,13 +1,13 @@
-import Chem
-from Chem import rdDistGeom,ChemicalForceFields,rdMolAlign
-import RDConfig
+from rdkit import Chem
+from rdkit.Chem import rdDistGeom,ChemicalForceFields,rdMolAlign
+from rdkit import RDConfig
 import unittest
 import os,copy
 import cPickle as pickle
 import math
 import numpy
-from Geometry import rdGeometry as geom
-from RDLogger import logger
+from rdkit.Geometry import rdGeometry as geom
+from rdkit.RDLogger import logger
 logger=logger()
 
 def feq(v1, v2, tol=1.e-4) :

Code/GraphMol/DistGeomHelpers/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/DistGeomHelpers/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/FileParsers/test_list.py

@@ -13,6 +13,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/Fingerprints/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py

@@ -1,6 +1,6 @@
-import Chem
-from Chem import ChemicalForceFields
-import RDConfig
+from rdkit import Chem
+from rdkit.Chem import ChemicalForceFields
+from rdkit import RDConfig
 import unittest
 import os
 

Code/GraphMol/ForceFieldHelpers/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/FragCatalog/Wrap/rough_test.py

@@ -9,12 +9,12 @@ it's intended to be shallow, but broad
 
 """
 import unittest,os
-import RDConfig
-from RDLogger import logger
+from rdkit import RDConfig
+from rdkit.RDLogger import logger
 logger=logger()
-import Chem
-from Chem import FragmentCatalog
-import DataStructs
+from rdkit import Chem
+from rdkit.Chem import FragmentCatalog
+from rdkit import DataStructs
 import cPickle
 
 

Code/GraphMol/FragCatalog/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/FragCatalog/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolAlign/Wrap/testMolAlign.py

@@ -4,11 +4,11 @@
 #
 #     @@  All Rights Reserved  @@
 #
-import RDConfig
+from rdkit import RDConfig
 import os,sys
 import unittest
-import Chem
-from Chem import rdMolAlign,rdDistGeom,ChemicalForceFields
+from rdkit import Chem
+from rdkit.Chem import rdMolAlign,rdDistGeom,ChemicalForceFields
 
 def lstFeq(l1, l2, tol=1.e-4):
   if (len(list(l1)) != len(list(l2))):

Code/GraphMol/MolAlign/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolAlign/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolCatalog/Wrap/rough_test.py

@@ -3,11 +3,11 @@
 #  Copyright (C) 2006  Greg Landrum
 #
 import unittest,os,sys
-import RDConfig
-import Chem
-import DataStructs
+from rdkit import RDConfig
+from rdkit import Chem
+from rdkit import DataStructs
 import cPickle
-from Chem import MolCatalog
+from rdkit.Chem import MolCatalog
 
 class TestCase(unittest.TestCase):
   def test1(self):

Code/GraphMol/MolCatalog/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolCatalog/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py

@@ -1,7 +1,7 @@
-import DataStructs
-import Chem
-from Chem import ChemicalFeatures,rdDistGeom
-import Geometry
+from rdkit import DataStructs
+from rdkit import Chem
+from rdkit.Chem import ChemicalFeatures,rdDistGeom
+from rdkit import Geometry
 import unittest
 
 

Code/GraphMol/MolChemicalFeatures/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolChemicalFeatures/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py

@@ -1,10 +1,10 @@
-import RDConfig
+from rdkit import RDConfig
 import os,sys
 import unittest
-import DataStructs
-import Chem
-from Geometry import rdGeometry as geom
-from Chem import rdMolTransforms as rdmt
+from rdkit import DataStructs
+from rdkit import Chem
+from rdkit.Geometry import rdGeometry as geom
+from rdkit.Chem import rdMolTransforms as rdmt
 
 def feq(v1, v2, tol=1.0e-4):
     return abs(v1-v2) < tol

Code/GraphMol/MolTransforms/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/MolTransforms/test_list.py

@@ -11,6 +11,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py

@@ -1,6 +1,6 @@
-import Chem
-from Chem import rdPartialCharges
-import RDConfig
+from rdkit import Chem
+from rdkit.Chem import rdPartialCharges
+from rdkit import RDConfig
 import unittest
 import os
 import cPickle as pickle

Code/GraphMol/PartialCharges/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/SLNParse/Wrap/testSLN.py

@@ -32,10 +32,10 @@
 #
 # Created by Greg Landrum, September 2006
 #
-import Chem
-from Chem import rdSLNParse
-import Geometry
-import RDConfig
+from rdkit import Chem
+from rdkit.Chem import rdSLNParse
+from rdkit import Geometry
+from rdkit import RDConfig
 import unittest
 import os,sys
 

Code/GraphMol/SLNParse/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/SLNParse/test_list.py

@@ -15,6 +15,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py

@@ -1,12 +1,12 @@
-import RDConfig
+from rdkit import RDConfig
 import os,sys
 import unittest
-import DataStructs
-import Chem
-from Chem import rdMolAlign
-from Geometry import rdGeometry as geom
-from Chem import rdShapeHelpers as rdshp
-from Chem import rdMolTransforms as rdmt
+from rdkit import DataStructs
+from rdkit import Chem
+from rdkit.Chem import rdMolAlign
+from rdkit.Geometry import rdGeometry as geom
+from rdkit.Chem import rdShapeHelpers as rdshp
+from rdkit.Chem import rdMolTransforms as rdmt
 import math
 
 def feq(v1, v2, tol=1.0e-4):

Code/GraphMol/ShapeHelpers/Wrap/test_list.py

@@ -7,6 +7,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/ShapeHelpers/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/SmilesParse/test_list.py

@@ -10,6 +10,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/Subgraphs/test_list.py

@@ -10,6 +10,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/Substruct/test_list.py

@@ -11,6 +11,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/UnitTestQueryMol.py

@@ -3,7 +3,7 @@
 """basic unit testing code for query mols
 
 """
-import RDConfig
+from rdkit import RDConfig
 import unittest,os,sys
 
 class TestCase(unittest.TestCase):

Code/GraphMol/Wrap/rough_test.py

@@ -8,11 +8,11 @@
 it's intended to be shallow, but broad
 
 """
-import RDConfig
+from rdkit import RDConfig
 import os,sys,tempfile
 import unittest
-import DataStructs
-import Chem
+from rdkit import DataStructs
+from rdkit import Chem
 
 def feq(v1,v2,tol2=1e-4):
   return abs(v1-v2)<=tol2
@@ -715,7 +715,7 @@ class TestCase(unittest.TestCase):
     self.failUnless(mol.GetNumAtoms()==39)
 
   def test24DaylightFingerprint(self):
-    import DataStructs
+    from rdkit import DataStructs
     m1 = Chem.MolFromSmiles('C1=CC=CC=C1')
     fp1 = Chem.DaylightFingerprint(m1)
     self.failUnless(len(fp1)==2048)
@@ -736,7 +736,7 @@ class TestCase(unittest.TestCase):
     self.failUnless(len(fp3)<2048)
     
   def test24RDKFingerprint(self):
-    import DataStructs
+    from rdkit import DataStructs
     m1 = Chem.MolFromSmiles('C1=CC=CC=C1')
     fp1 = Chem.RDKFingerprint(m1)
     self.failUnless(len(fp1)==2048)

Code/GraphMol/Wrap/testConformer.py

@@ -3,11 +3,11 @@
 #  Copyright (C) 2004  Rational Discovery LLC
 #         All Rights Reserved
 #
-import RDConfig
+from rdkit import RDConfig
 import os,sys
 import unittest
-import Chem
-from Geometry import Point3D
+from rdkit import Chem
+from rdkit.Geometry import Point3D
 
 def feq(v1,v2,tol2=1e-4):
   return abs(v1-v2)<=tol2

Code/GraphMol/Wrap/test_list.py

@@ -10,6 +10,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/GraphMol/test_list.py

@@ -53,6 +53,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/ML/FeatureSelect/Wrap/testCMIM.py

@@ -1,6 +1,6 @@
-from ML import FeatureSelect as FS
-import DataStructs as DS
-import RDConfig
+from rdkit.ML import FeatureSelect as FS
+from rdkit import DataStructs as DS
+from rdkit import RDConfig
 import unittest
 
 class TestCase(unittest.TestCase):

Code/ML/FeatureSelect/Wrap/test_list.py

@@ -3,3 +3,9 @@ tests=[
           ]
 
 longTests=[]
+
+if __name__=='__main__':
+  import sys
+  from rdkit import TestRunner
+  failed,tests = TestRunner.RunScript('test_list.py',0,1)
+  sys.exit(len(failed))

Code/ML/InfoTheory/Wrap/testData/Issue237.pkl

@@ -2,7 +2,7 @@
 (lp2
 S'MAC-0024696'
 p3
-acDataStructs.cDataStructs
+acrdkit.DataStructs.cDataStructs
 ExplicitBitVect
 p4
 (S'\xe0\xff\xff\xffy\x0c\x00\x00\x00\x00\x00\x00\xe5/'

Code/ML/InfoTheory/Wrap/testRanker.py

@@ -1,7 +1,7 @@
-import RDConfig,RDRandom
+from rdkit import RDConfig,RDRandom
 import unittest
-from ML.InfoTheory import rdInfoTheory as rdit
-import DataStructs
+from rdkit.ML.InfoTheory import rdInfoTheory as rdit
+from rdkit import DataStructs
 import numpy
 import os,cPickle
 

Code/ML/InfoTheory/Wrap/test_list.py

@@ -4,3 +4,9 @@ tests=[
     ]
 
 longTests=[]
+
+if __name__=='__main__':
+  import sys
+  from rdkit import TestRunner
+  failed,tests = TestRunner.RunScript('test_list.py',0,1)
+  sys.exit(len(failed))

Code/ML/test_list.py

@@ -9,6 +9,6 @@ longTests = [
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Numerics/Alignment/Wrap/testAlignment.py

@@ -1,8 +1,8 @@
 ## Automatically adapted for numpy.oldnumeric Jun 27, 2008 by -c
 
-import Numerics.rdAlignment as rdAlg
-import Geometry
-import RDConfig
+import rdkit.Numerics.rdAlignment as rdAlg
+from rdkit import Geometry
+from rdkit import RDConfig
 import os,sys
 import unittest
 import numpy.oldnumeric as Numeric

Code/Numerics/Alignment/Wrap/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Numerics/Alignment/test_list.py

@@ -10,6 +10,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Numerics/EigenSolvers/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Numerics/Optimizer/test_list.py

@@ -9,6 +9,6 @@ longTests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Numerics/test_list.py

@@ -10,6 +10,6 @@ tests=[
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/Query/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/RDGeneral/test_list.py

@@ -9,6 +9,6 @@ longTests=[]
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))

Code/SimDivPickers/Wrap/testMaxMin.py

@@ -1,6 +1,6 @@
-from SimDivFilters import rdSimDivPickers as rdsimdiv
+from rdkit.SimDivFilters import rdSimDivPickers as rdsimdiv
 import numpy
-import RDRandom
+from rdkit import RDRandom
 RDRandom.seed(23)
 
 

Code/SimDivPickers/Wrap/testPickers.py

@@ -1,7 +1,7 @@
-import RDConfig
+from rdkit import RDConfig
 import unittest
-from SimDivFilters import rdSimDivPickers
-from DataManip.Metric import rdMetricMatrixCalc as rdmmc
+from rdkit.SimDivFilters import rdSimDivPickers
+from rdkit.DataManip.Metric import rdMetricMatrixCalc as rdmmc
 import numpy
 import random
 
@@ -97,7 +97,7 @@ class TestCase(unittest.TestCase):
 
             
   def testNonUniqueCrash(self) :
-    import DataStructs
+    from rdkit import DataStructs
     sz = 10
     nbits=20
     nBitsToSet=int(nbits*.3)

Code/SimDivPickers/Wrap/test_list.py

@@ -5,3 +5,9 @@ tests=[
     ]
 
 longTests=[]
+
+if __name__=='__main__':
+  import sys
+  from rdkit import TestRunner
+  failed,tests = TestRunner.RunScript('test_list.py',0,1)
+  sys.exit(len(failed))

Code/test_list.py

@@ -23,6 +23,6 @@ longTests = [
 
 if __name__=='__main__':
   import sys
-  import TestRunner
+  from rdkit import TestRunner
   failed,tests = TestRunner.RunScript('test_list.py',0,1)
   sys.exit(len(failed))