#
#  Copyright (C) 2001  greg Landrum
#
""" unit testing code for variable quantization

"""
import unittest

from rdkit.ML.Data import Quantize


class TestCase(unittest.TestCase):

  def testOneSplit1(self):
    # """ simple case (clear division) """
    d = [(1., 0), (1.1, 0), (1.2, 0), (1.4, 0), (1.4, 0), (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, 0.97095)
    self.assertEqual([Quantize.feq(x, y, 1e-4) for x, y in zip(res, target)], [1, 1],
                     'result comparison failed: %s != %s' % (res, target))

  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([Quantize.feq(x, y, 1e-4) for x, y in zip(res, target)], [1, 1],
                     'result comparison failed: %s != %s' % (res, target))

  def testOneSplit3(self):
    # """ optimal division not possible """
    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)
    self.assertEqual([Quantize.feq(x, y, 1e-4) for x, y in zip(res, target)], [1, 1],
                     'result comparison failed: %s != %s' % (res, target))

  def testOneSplit4_duplicates(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)
    self.assertEqual([Quantize.feq(x, y, 1e-4) for x, y in zip(res, target)], [1, 1],
                     'result comparison failed: %s != %s' % (res, target))

  def testOneSplit5_outOfOrder(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)
    self.assertEqual([Quantize.feq(x, y, 1e-4) for x, y in zip(res, target)], [1, 1],
                     'result comparison failed: %s != %s' % (res, target))

  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([Quantize.feq(x, y, 1e-4) for x, y in zip(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]))

  def testMultSplit2_outOfOrder(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)
    self.assertTrue(Quantize.feq(res[1], target[1], 1e-4),
                    'InfoGain comparison failed: %s != %s' % (res[1], target[1]))
    self.assertEqual(min([Quantize.feq(x, y, 1e-4) for x, y in zip(res[0], target[0])]), 1,
                     'split bound comparison failed: %s != %s' % (res[0], target[0]))

  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([Quantize.feq(x, y, 1e-4) for x, y in zip(res[0], target[0])]), 1,
                     'split bound comparison failed: %s != %s' % (res[0], target[0]))

  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([Quantize.feq(x, y, 1e-4) for x, y in zip(res[0], target[0])]), 1,
                     'split bound comparison failed: %s != %s' % (res[0], target[0]))

  def testMultSplit5_dualValued_island_noisy(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)
    self.assertTrue(Quantize.feq(res[1], target[1], 1e-4),
                    'InfoGain comparison failed: %s != %s' % (res[1], target[1]))
    self.assertEqual(min([Quantize.feq(x, y, 1e-4) for x, y in zip(res[0], target[0])]), 1,
                     'split bound comparison failed: %s != %s' % (res[0], target[0]))

  def test9NewSplits(self):
    d = [
      (0, 0),
      (1, 1),
      (2, 0),
    ]
    varValues, resCodes = zip(*d)
    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)
    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)
    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)
    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)
    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)
    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)
    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)
    res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
    self.assertTrue(res == [], str(res))
    res = Quantize._FindStartPoints(varValues, resCodes, len(d))
    self.assertTrue(res == [], str(res))

    d = [
      (0, 0),
      (0, 1),
      (1, 0),
      (1, 1),
      (2, 0),
      (2, 0),
    ]
    varValues, resCodes = zip(*d)
    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 = [
      (1, 0),
      (2, 1),
      (2, 1),
      (3, 1),
      (3, 1),
      (3, 1),
      (4, 0),
      (4, 1),
      (4, 1),
    ]
    varValues, resCodes = zip(*d)
    res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
    self.assertTrue(res == [1, 6], str(res))
    res = Quantize._FindStartPoints(varValues, resCodes, len(d))
    self.assertTrue(res == [1, 6], str(res))

    d = [(1, 1.65175902843, 0), (2, 1.89935600758, 0), (3, 1.89935600758, 1), (4, 1.89935600758, 1),
         (5, 2.7561609745, 1), (6, 2.7561609745, 1), (7, 2.7561609745, 1), (8, 2.7561609745, 1),
         (9, 3.53454303741, 1), (10, 3.53454303741, 1), (11, 3.53454303741, 1),
         (12, 3.53454303741, 1), (13, 3.53454303741, 1)]

    _, varValues, resCodes = zip(*d)
    res = Quantize._NewPyFindStartPoints(varValues, resCodes, len(d))
    self.assertTrue(res == [1, 4], str(res))
    res = Quantize._FindStartPoints(varValues, resCodes, len(d))
    self.assertTrue(res == [1, 4], str(res))

  def testGithubIssue18(self):
    d = [0, 1, 2, 3, 4]
    a = [0, 0, 1, 1, 1]
    _ = 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)))


if __name__ == '__main__':  # pragma: nocover
  unittest.main()
