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from rdkit.ML import FeatureSelect as FS
from rdkit import DataStructs as DS
from rdkit import RDConfig
import unittest
class TestCase(unittest.TestCase):
def setUp(self) :
pass
def test0FromList(self) :
examples = []
bv = DS.ExplicitBitVect(5)
bv.SetBitsFromList([0,2,4])
examples.append([0,bv,0])
bv = DS.ExplicitBitVect(5)
bv.SetBitsFromList([0,2,4])
examples.append([0,bv,0])
bv = DS.ExplicitBitVect(5)
bv.SetBitsFromList([0,3,4])
examples.append([0,bv,1])
bv = DS.ExplicitBitVect(5)
bv.SetBitsFromList([0,2,4])
examples.append([0,bv,0])
bv = DS.ExplicitBitVect(5)
bv.SetBitsFromList([0,2])
examples.append([0,bv,1])
r = FS.selectCMIM(examples,2)
self.failUnlessEqual(r,(2,4))
r = FS.selectCMIM(examples,1)
self.failUnlessEqual(r,(2,))
r = FS.selectCMIM(examples,3)
self.failUnlessEqual(r,(2,4,-1))
def test1FromList(self) :
examples = []
bv = DS.SparseBitVect(5)
bv.SetBitsFromList([0,2,4])
examples.append([0,bv,0])
bv = DS.SparseBitVect(5)
bv.SetBitsFromList([0,2,4])
examples.append([0,bv,0])
bv = DS.SparseBitVect(5)
bv.SetBitsFromList([0,3,4])
examples.append([0,bv,1])
bv = DS.SparseBitVect(5)
bv.SetBitsFromList([0,2,4])
examples.append([0,bv,0])
bv = DS.SparseBitVect(5)
bv.SetBitsFromList([0,2])
examples.append([0,bv,1])
r = FS.selectCMIM(examples,2)
self.failUnlessEqual(r,(2,4))
r = FS.selectCMIM(examples,1)
self.failUnlessEqual(r,(2,))
r = FS.selectCMIM(examples,3)
self.failUnlessEqual(r,(2,4,-1))
if __name__ == '__main__':
unittest.main()
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