chemotools 0.1.5__py3-none-any.whl → 0.1.7__py3-none-any.whl

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Files changed (50) hide show
  1. chemotools/augmentation/__init__.py +10 -0
  2. chemotools/augmentation/baseline_shift.py +23 -15
  3. chemotools/augmentation/exponential_noise.py +24 -15
  4. chemotools/augmentation/index_shift.py +104 -16
  5. chemotools/augmentation/normal_noise.py +24 -14
  6. chemotools/augmentation/spectrum_scale.py +24 -15
  7. chemotools/augmentation/uniform_noise.py +26 -14
  8. chemotools/baseline/__init__.py +13 -1
  9. chemotools/baseline/_air_pls.py +16 -14
  10. chemotools/baseline/_ar_pls.py +17 -17
  11. chemotools/baseline/_constant_baseline_correction.py +19 -16
  12. chemotools/baseline/_cubic_spline_correction.py +17 -8
  13. chemotools/baseline/_linear_correction.py +18 -10
  14. chemotools/baseline/_non_negative.py +14 -8
  15. chemotools/baseline/_polynomial_correction.py +19 -11
  16. chemotools/baseline/_subtract_reference.py +17 -9
  17. chemotools/datasets/__init__.py +2 -0
  18. chemotools/datasets/_base.py +3 -3
  19. chemotools/derivative/__init__.py +3 -1
  20. chemotools/derivative/_norris_william.py +14 -8
  21. chemotools/derivative/_savitzky_golay.py +25 -21
  22. chemotools/feature_selection/__init__.py +2 -0
  23. chemotools/feature_selection/_index_selector.py +18 -17
  24. chemotools/feature_selection/_range_cut.py +9 -7
  25. chemotools/scale/__init__.py +2 -0
  26. chemotools/scale/_min_max_scaler.py +14 -8
  27. chemotools/scale/_norm_scaler.py +14 -8
  28. chemotools/scale/_point_scaler.py +18 -10
  29. chemotools/scatter/__init__.py +11 -2
  30. chemotools/scatter/_extended_multiplicative_scatter_correction.py +33 -29
  31. chemotools/scatter/_multiplicative_scatter_correction.py +33 -18
  32. chemotools/scatter/_robust_normal_variate.py +14 -8
  33. chemotools/scatter/_standard_normal_variate.py +14 -8
  34. chemotools/smooth/__init__.py +3 -1
  35. chemotools/smooth/_mean_filter.py +14 -8
  36. chemotools/smooth/_median_filter.py +31 -9
  37. chemotools/smooth/_savitzky_golay_filter.py +20 -9
  38. chemotools/smooth/_whittaker_smooth.py +20 -11
  39. {chemotools-0.1.5.dist-info → chemotools-0.1.7.dist-info}/METADATA +18 -17
  40. chemotools-0.1.7.dist-info/RECORD +51 -0
  41. {chemotools-0.1.5.dist-info → chemotools-0.1.7.dist-info}/WHEEL +1 -2
  42. chemotools/utils/check_inputs.py +0 -14
  43. chemotools-0.1.5.dist-info/RECORD +0 -58
  44. chemotools-0.1.5.dist-info/top_level.txt +0 -2
  45. tests/__init__.py +0 -0
  46. tests/fixtures.py +0 -89
  47. tests/test_datasets.py +0 -111
  48. tests/test_functionality.py +0 -777
  49. tests/test_sklearn_compliance.py +0 -277
  50. {chemotools-0.1.5.dist-info → chemotools-0.1.7.dist-info}/LICENSE +0 -0
tests/test_sklearn_compliance.py DELETED
@@ -1,277 +0,0 @@
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- from sklearn.utils.estimator_checks import check_estimator
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-
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- from chemotools.augmentation import (
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- BaselineShift,
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- ExponentialNoise,
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- NormalNoise,
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- IndexShift,
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- SpectrumScale,
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- UniformNoise,
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- )
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-
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- from chemotools.baseline import (
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- AirPls,
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- ArPls,
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- ConstantBaselineCorrection,
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- CubicSplineCorrection,
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- LinearCorrection,
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- NonNegative,
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- PolynomialCorrection,
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- SubtractReference,
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- )
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- from chemotools.derivative import NorrisWilliams, SavitzkyGolay
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- from chemotools.scale import MinMaxScaler, NormScaler, PointScaler
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- from chemotools.scatter import (
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- ExtendedMultiplicativeScatterCorrection,
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- MultiplicativeScatterCorrection,
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- RobustNormalVariate,
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- StandardNormalVariate,
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- )
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- from chemotools.smooth import (
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- MeanFilter,
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- MedianFilter,
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- SavitzkyGolayFilter,
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- WhittakerSmooth,
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- )
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- from chemotools.feature_selection import RangeCut, IndexSelector
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-
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- from tests.fixtures import spectrum
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-
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-
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- # AirPls
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- def test_compliance_air_pls():
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- # Arrange
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- transformer = AirPls()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # ArPls
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- def test_compliance_ar_pls():
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- # Arrange
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- transformer = ArPls()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # BaselineShift
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- def test_compliance_baseline_shift():
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- # Arrange
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- transformer = BaselineShift()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # ConstantBaselineCorrection
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- def test_compliance_constant_baseline_correction():
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- # Arrange
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- transformer = ConstantBaselineCorrection()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # CubicSplineCorrection
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- def test_compliance_cubic_spline_correction():
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- # Arrange
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- transformer = CubicSplineCorrection()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # ExponentialNoise
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- def test_compliance_exponential_noise():
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- # Arrange
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- transformer = ExponentialNoise()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # ExtendedMultiplicativeScatterCorrection
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- def test_compliance_extended_multiplicative_scatter_correction():
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- # Arrange
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- transformer = ExtendedMultiplicativeScatterCorrection()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # IndexSelector
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- def test_compliance_index_selector():
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- # Arrange
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- transformer = IndexSelector()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # IndexShift
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- def test_compliance_spectrum_shift():
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- # Arrange
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- transformer = IndexShift()
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- # Act & Assert
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- check_estimator(transformer)
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-
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- # LinearCorrection
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- def test_compliance_linear_correction():
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- # Arrange
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- transformer = LinearCorrection()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # LNormalize
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- def test_compliance_l_norm():
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- # Arrange
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- transformer = NormScaler()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # MeanFilter
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- def test_compliance_mean_filter():
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- # Arrange
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- transformer = MeanFilter()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # MedianFilter
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- def test_compliance_median_filter():
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- # Arrange
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- transformer = MedianFilter()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # MinMaxNormalize
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- def test_compliance_min_max_norm():
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- # Arrange
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- transformer = MinMaxScaler()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # MultiplicativeScatterCorrection
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- def test_compliance_multiplicative_scatter_correction():
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- # Arrange
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- transformer = MultiplicativeScatterCorrection()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # NonNegative
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- def test_compliance_non_negative():
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- # Arrange
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- transformer = NonNegative()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # NormalNoise
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- def test_compliance_normal_noise():
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- # Arrange
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- transformer = NormalNoise()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # NorrisWilliams
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- def test_compliance_norris_williams():
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- # Arrange
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- transformer = NorrisWilliams()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # NorrisWilliams
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- def test_compliance_norris_williams_2():
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- # Arrange
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- transformer = NorrisWilliams(derivative_order=2)
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # PointScaler
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- def test_compliance_point_scaler():
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- # Arrange
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- transformer = PointScaler()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # PolynomialCorrection
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- def test_compliance_polynomial_correction():
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- # Arrange
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- transformer = PolynomialCorrection()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # RangeCut
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- def test_compliance_range_cut():
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- # Arrange
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- transformer = RangeCut()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # RobustNormalVariate
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- def test_compliance_robust_normal_variate():
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- # Arrange
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- transformer = RobustNormalVariate()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # SavitzkyGolay
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- def test_compliance_savitzky_golay():
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- # Arrange
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- transformer = SavitzkyGolay()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # SavitzkyGolayFilter
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- def test_compliance_savitzky_golay_filter():
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- # Arrange
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- transformer = SavitzkyGolayFilter()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # SpectrumScale
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- def test_compliance_spectrum_scale():
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- # Arrange
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- transformer = SpectrumScale()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # StandardNormalVariate
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- def test_compliance_standard_normal_variate():
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- # Arrange
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- transformer = StandardNormalVariate()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # SubtractReference
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- def test_compliance_subtract_reference():
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- # Arrange
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- transformer = SubtractReference()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # UniformNoise
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- def test_compliance_uniform_noise():
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- # Arrange
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- transformer = UniformNoise()
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- # Act & Assert
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- check_estimator(transformer)
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-
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-
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- # WhittakerSmooth
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- def test_compliance_whittaker_smooth():
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- # Arrange
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- transformer = WhittakerSmooth()
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- # Act & Assert
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- check_estimator(transformer)