本文整理汇总了Python中rdkit.ML.Data.Quantize类的典型用法代码示例。如果您正苦于以下问题：Python Quantize类的具体用法？Python Quantize怎么用？Python Quantize使用的例子？那么恭喜您, 这里精选的类代码示例或许可以为您提供帮助。
在下文中一共展示了Quantize类的13个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: testMultSplit3
def testMultSplit3(self):
""" 4 possible results
"""
d = [(1.,0),
(1.1,0),
(1.2,0),
(1.4,2),
(1.4,2),
(1.6,2),
(2.,2),
(2.1,1),
(2.1,1),
(2.1,1),
(2.2,1),
(2.3,1),
(3.0,3),
(3.1,3),
(3.2,3),
(3.3,3)]
varValues = map(lambda x:x[0],d)
resCodes = map(lambda x:x[1],d)
nPossibleRes =4
res = Quantize.FindVarMultQuantBounds(varValues,3,resCodes,nPossibleRes)
target = ([1.30, 2.05, 2.65],1.97722)
assert Quantize.feq(res[1],target[1],1e-4),\
'InfoGain comparison failed: %s != %s'%(res[1],target[1])
assert min(map(lambda x,y:Quantize.feq(x,y,1e-4),res[0],target[0]))==1,\
'split bound comparison failed: %s != %s'%(res[0],target[0])示例2: testMultSplit5
def testMultSplit5(self):
""" dual valued, with an island, a bit noisy
"""
d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 1), (1.4, 0), (1.6, 1), (2., 1), (2.1, 0), (2.1, 0),
(2.1, 0), (2.2, 1), (2.3, 0)]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize.FindVarMultQuantBounds(varValues, 2, resCodes, nPossibleRes)
target = ([1.3, 2.05], .34707)
assert Quantize.feq(res[1],target[1],1e-4),\
'InfoGain comparison failed: %s != %s'%(res[1],target[1])
assert min(map(lambda x,y:Quantize.feq(x,y,1e-4),res[0],target[0]))==1,\
'split bound comparison failed: %s != %s'%(res[0],target[0])示例3: testMultSplit2
def testMultSplit2(self):
""" same test as testMultSplit1, but out of order
"""
d = [(1., 0), (2.1, 1), (1.1, 0), (1.2, 0), (1.4, 2), (1.6, 2), (2., 2), (1.4, 2), (2.1, 1),
(2.2, 1), (2.1, 1), (2.3, 1)]
varValues, resCodes = zip(*d)
nPossibleRes = 3
res = Quantize.FindVarMultQuantBounds(varValues, 2, resCodes, nPossibleRes)
target = ([1.3, 2.05], 1.55458)
assert Quantize.feq(res[1],target[1],1e-4),\
'InfoGain comparison failed: %s != %s'%(res[1],target[1])
assert min(map(lambda x,y:Quantize.feq(x,y,1e-4),res[0],target[0]))==1,\
'split bound comparison failed: %s != %s'%(res[0],target[0])示例4: testMultSplit4_dualValued_island
def testMultSplit4_dualValued_island(self):
# """ dual valued, with an island """
d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 1), (1.4, 1), (1.6, 1), (2., 1), (2.1, 0), (2.1, 0),
(2.1, 0), (2.2, 0), (2.3, 0)]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize.FindVarMultQuantBounds(varValues, 2, resCodes, nPossibleRes)
target = ([1.3, 2.05], .91830)
self.assertTrue(
Quantize.feq(res[1], target[1], 1e-4),
'InfoGain comparison failed: %s != %s' % (res[1], target[1]))
self.assertEqual(
min(map(lambda x, y: Quantize.feq(x, y, 1e-4), res[0], target[0])), 1,
'split bound comparison failed: %s != %s' % (res[0], target[0]))示例5: testMultSplit1_simple_dual
def testMultSplit1_simple_dual(self):
# """ simple dual split """
d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 2), (1.4, 2), (1.6, 2), (2., 2), (2.1, 1), (2.1, 1),
(2.1, 1), (2.2, 1), (2.3, 1)]
varValues, resCodes = zip(*d)
nPossibleRes = 3
res = Quantize.FindVarMultQuantBounds(varValues, 2, resCodes, nPossibleRes)
target = ([1.3, 2.05], 1.55458)
self.assertEqual(
min(map(lambda x, y: Quantize.feq(x, y, 1e-4), res[0], target[0])), 1,
'split bound comparison failed: %s != %s' % (res[0], target[0]))
self.assertTrue(
Quantize.feq(res[1], target[1], 1e-4),
'InfoGain comparison failed: %s != %s' % (res[1], target[1]))示例6: testMultSplit3_4results
def testMultSplit3_4results(self):
# """ 4 possible results """
d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 2), (1.4, 2), (1.6, 2), (2., 2), (2.1, 1), (2.1, 1),
(2.1, 1), (2.2, 1), (2.3, 1), (3.0, 3), (3.1, 3), (3.2, 3), (3.3, 3)]
varValues, resCodes = zip(*d)
nPossibleRes = 4
res = Quantize.FindVarMultQuantBounds(varValues, 3, resCodes, nPossibleRes)
target = ([1.30, 2.05, 2.65], 1.97722)
self.assertTrue(
Quantize.feq(res[1], target[1], 1e-4),
'InfoGain comparison failed: %s != %s' % (res[1], target[1]))
self.assertEqual(
min(map(lambda x, y: Quantize.feq(x, y, 1e-4), res[0], target[0])), 1,
'split bound comparison failed: %s != %s' % (res[0], target[0]))示例7: testGithubIssue18
def testGithubIssue18(self):
d = [0, 1, 2, 3, 4]
a = [0, 0, 1, 1, 1]
tpl = Quantize.FindVarMultQuantBounds(d, 1, a, 2)
d2 = [(x, ) for x in d]
self.assertRaises(ValueError, lambda: Quantize.FindVarMultQuantBounds(d2, 1, a, 2))
self.assertRaises(ValueError, lambda: Quantize._FindStartPoints(d2, a, len(d2)))示例8: testOneSplit5
def testOneSplit5(self):
""" same as testOneSplit1 data, but out of order
"""
d = [(1., 0), (1.1, 0), (2.2, 1), (1.2, 0), (1.6, 0), (1.4, 0), (2., 1), (2.1, 1), (1.4, 0),
(2.3, 1)]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize.FindVarQuantBound(varValues, resCodes, nPossibleRes)
target = (1.8, 0.97095)
assert list(map(lambda x,y:Quantize.feq(x,y,1e-4),res,target))==[1,1],\
'result comparison failed: %s != %s'%(res,target)示例9: testOneSplit4
def testOneSplit4(self):
""" lots of duplicates
"""
d = [(1., 0), (1.1, 0), (1.2, 0), (1.2, 1), (1.4, 0), (1.4, 0), (1.6, 0), (2., 1), (2.1, 1),
(2.1, 1), (2.1, 1), (2.1, 1), (2.2, 1), (2.3, 1)]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize.FindVarQuantBound(varValues, resCodes, nPossibleRes)
target = (1.8, 0.68939)
assert list(map(lambda x,y:Quantize.feq(x,y,1e-4),res,target))==[1,1],\
'result comparison failed: %s != %s'%(res,target)示例10: testOneSplit3
def testOneSplit3(self):
""" optimal division not possibe
"""
d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 2), (1.4, 2), (1.6, 2), (2., 2), (2.1, 1), (2.2, 1),
(2.3, 1)]
varValues, resCodes = zip(*d)
nPossibleRes = 3
res = Quantize.FindVarQuantBound(varValues, resCodes, nPossibleRes)
target = (1.3, 0.88129)
assert list(map(lambda x,y:Quantize.feq(x,y,1e-4),res,target))==[1,1],\
'result comparison failed: %s != %s'%(res,target)示例11: testOneSplit2_noise
def testOneSplit2_noise(self):
# """ some noise """
d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 0), (1.4, 1), (1.6, 0), (2., 1), (2.1, 1), (2.2, 1),
(2.3, 1)]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize.FindVarQuantBound(varValues, resCodes, nPossibleRes)
target = (1.8, 0.60999)
self.assertEqual(
list(map(lambda x, y: Quantize.feq(x, y, 1e-4), res, target)), [1, 1],
'result comparison failed: %s != %s' % (res, target))示例12: testOneSplit2
def testOneSplit2(self):
""" some noise
"""
d = [(1.,0),
(1.1,0),
(1.2,0),
(1.4,0),
(1.4,1),
(1.6,0),
(2.,1),
(2.1,1),
(2.2,1),
(2.3,1)]
varValues = map(lambda x:x[0],d)
resCodes = map(lambda x:x[1],d)
nPossibleRes = 2
res = Quantize.FindVarQuantBound(varValues,resCodes,nPossibleRes)
target = (1.8,0.60999)
assert map(lambda x,y:Quantize.feq(x,y,1e-4),res,target)==[1,1],\
'result comparison failed: %s != %s'%(res,target)示例13: test9NewSplits
def test9NewSplits(self):
"""
"""
d = [(0, 0),
(1, 1),
(2, 0), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [1, 2], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [1, 2], str(res))
d = [(0, 1),
(1, 0),
(2, 1), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [1, 2], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [1, 2], str(res))
d = [(0, 0),
(0, 0),
(1, 1),
(1, 1),
(2, 0),
(2, 1), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2, 4], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2, 4], str(res))
d = [(0, 0),
(0, 1),
(1, 1),
(1, 1),
(2, 0),
(2, 1), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2, 4], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2, 4], str(res))
d = [(0, 0),
(0, 0),
(1, 0),
(1, 1),
(2, 0),
(2, 1), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2, 4], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2, 4], str(res))
d = [(0, 0),
(0, 0),
(1, 0),
(1, 0),
(2, 1),
(2, 1), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [4], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [4], str(res))
d = [(0, 0),
(0, 0),
(1, 1),
(1, 1),
(2, 1),
(2, 1), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [2], str(res))
d = [(0, 0),
(0, 0),
(1, 0),
(1, 0),
(2, 0),
(2, 0), ]
varValues, resCodes = zip(*d)
nPossibleRes = 2
res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [], str(res))
res = Quantize._FindStartPoints(varValues, resCodes, len(d))
self.assertTrue(res == [], str(res))
#.........这里部分代码省略.........