chemotools 0.0.26__py3-none-any.whl → 0.0.28__py3-none-any.whl

chemotools/scale/__init__.py

@@ -1,3 +1,3 @@
-from .index_scaler import IndexScaler
 from .min_max_scaler import MinMaxScaler
 from .norm_scaler import NormScaler
+from .point_scaler import PointScaler

chemotools/scale/{index_scaler.py → point_scaler.py}

@@ -5,17 +5,26 @@ from sklearn.utils.validation import check_is_fitted
 from chemotools.utils.check_inputs import check_input
 
 
-class IndexScaler(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
+class PointScaler(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
     """
-    A transformer that scales the input data by the value at a given index.
+    A transformer that scales the input data by the intensity value at a given point. 
+    The point can be specified by an index or by a wavenumber.
 
     Parameters
     ----------
-    index : int, optional
-        The index to scale the data by.
+    point : int, 
+        The point to scale the data by. It can be an index or a wavenumber.
+
+    wavenumber : array-like, optional
+        The wavenumbers of the input data. If not provided, the indices will be used
+        instead. Default is None. If provided, the wavenumbers must be provided in
+        ascending order.
 
     Attributes
     ----------
+    point_index_ : int
+        The index of the point to scale the data by. It is 0 if the wavenumbers are not provided.
+
     n_features_in_ : int
         The number of features in the input data.
 
@@ -28,13 +37,14 @@ class IndexScaler(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
         Fit the transformer to the input data.
 
     transform(X, y=0, copy=True)
-        Transform the input data by scaling by the value at a given index.
+        Transform the input data by scaling by the value at a given Point.
     """
-    def __init__(self, index: int = 0):
-        self.index = index
+    def __init__(self, point: int = 0, wavenumbers: np.ndarray = None):
+        self.point = point
+        self.wavenumbers = wavenumbers
 
 
-    def fit(self, X: np.ndarray, y=None) -> "IndexScaler":
+    def fit(self, X: np.ndarray, y=None) -> "PointScaler":
         """
         Fit the transformer to the input data.
 
@@ -48,7 +58,7 @@ class IndexScaler(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
 
         Returns
         -------
-        self : IndexScaler
+        self : PointScaler
             The fitted transformer.
         """
         # Check that X is a 2D array and has only finite values
@@ -60,11 +70,18 @@ class IndexScaler(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
         # Set the fitted attribute to True
         self._is_fitted = True
 
+        # Set the point index
+        if self.wavenumbers is None:
+            self.point_index_ = self.point
+        else:
+            self.point_index_ = self._find_index(self.point)
+
+
         return self
 
     def transform(self, X: np.ndarray, y=None) -> np.ndarray:
         """
-        Transform the input data by scaling by the value at a given index.
+        Transform the input data by scaling by the value at a given Point.
 
         Parameters
         ----------
@@ -90,8 +107,12 @@ class IndexScaler(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
         if X_.shape[1] != self.n_features_in_:
             raise ValueError(f"Expected {self.n_features_in_} features but got {X_.shape[1]}")
 
-        # Scale the data by index
+        # Scale the data by Point
         for i, x in enumerate(X_):
-            X_[i] = x / x[self.index]
+            X_[i] = x / x[self.point_index_]
         
-        return X_.reshape(-1, 1) if X_.ndim == 1 else X_
+        return X_.reshape(-1, 1) if X_.ndim == 1 else X_
+    
+    def _find_index(self, target: float) -> int:
+        wavenumbers = np.array(self.wavenumbers)
+        return np.argmin(np.abs(wavenumbers - target))

chemotools/variable_selection/__init__.py

@@ -1 +1,2 @@
-from .range_cut import RangeCut
+from .range_cut import RangeCut
+from .select_features import SelectFeatures

chemotools/variable_selection/range_cut.py

@@ -130,7 +130,5 @@ class RangeCut(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
         return X_[:, self.start_index_ : self.end_index_]
 
     def _find_index(self, target: float) -> int:
-        if self.wavenumbers is None:
-            return target
         wavenumbers = np.array(self.wavenumbers)
         return np.argmin(np.abs(wavenumbers - target))

chemotools/variable_selection/select_features.py

@@ -0,0 +1,137 @@
+import numpy as np
+from sklearn.base import BaseEstimator, TransformerMixin, OneToOneFeatureMixin
+from sklearn.utils.validation import check_is_fitted
+
+from chemotools.utils.check_inputs import check_input
+
+
+class SelectFeatures(OneToOneFeatureMixin, BaseEstimator, TransformerMixin):
+    """
+    A transformer that Selects the spectral data to a specified array of features. This
+    array can be continuous or discontinuous. The array of features is specified by:
+    - by the indices of the wavenumbers to select,
+    - by the wavenumbers to select, the wavenumbers must be provided to the transformer
+        when it is initialised. If the wavenumbers are not provided, the indices will be
+        used instead. The wavenumbers must be provided in ascending order.
+
+    Parameters
+    ----------
+    features : narray-like, optional
+        The index of the features to select. Default is None.
+
+    wavenumbers : array-like, optional
+        The wavenumbers of the input data. If not provided, the indices will be used
+        instead. Default is None. If provided, the wavenumbers must be provided in
+        ascending order.
+
+    Attributes
+    ----------
+    features_index_ : int
+        The index of the features to select.
+
+    n_features_in_ : int
+        The number of features in the input data.
+
+    _is_fitted : bool
+        Whether the transformer has been fitted to data.
+
+    Methods
+    -------
+    fit(X, y=None)
+        Fit the transformer to the input data.
+
+    transform(X, y=0, copy=True)
+        Transform the input data by cutting it to the specified range.
+    """
+
+    def __init__(
+        self,
+        features: np.ndarray = None,
+        wavenumbers: np.ndarray = None,
+    ):
+        self.features = features
+        self.wavenumbers = wavenumbers
+
+    def fit(self, X: np.ndarray, y=None) -> "SelectFeatures":
+        """
+        Fit the transformer to the input data.
+
+        Parameters
+        ----------
+        X : array-like of shape (n_samples, n_features)
+            The input data to fit the transformer to.
+
+        y : None
+            Ignored.
+
+        Returns
+        -------
+        self : SelectFeatures
+            The fitted transformer.
+        """
+        # Check that X is a 2D array and has only finite values
+        X = check_input(X)
+
+        # Set the number of features
+        self.n_features_in_ = X.shape[1]
+
+        # Set the fitted attribute to True
+        self._is_fitted = True
+
+        # Set the start and end indices
+        if self.features is None:
+            self.features_index_ = self.features
+            return self
+
+        if self.wavenumbers is None:
+            self.features_index_ = self.features
+            return self
+
+        self.features_index_ = self._find_indices()
+
+        return self
+
+    def transform(self, X: np.ndarray, y=None) -> np.ndarray:
+        """
+        Transform the input data by cutting it to the specified range.
+
+        Parameters
+        ----------
+        X : array-like of shape (n_samples, n_features)
+            The input data to transform.
+
+        y : None
+            Ignored.
+
+        Returns
+        -------
+        X_ : np.ndarray of shape (n_samples, n_features)
+            The transformed data.
+        """
+        # Check that the estimator is fitted
+        check_is_fitted(self, "_is_fitted")
+
+        # Check that X is a 2D array and has only finite values
+        X = check_input(X)
+        X_ = X.copy()
+
+        # Check that the number of features is the same as the fitted data
+        if X_.shape[1] != self.n_features_in_:
+            raise ValueError(
+                f"Expected {self.n_features_in_} features but got {X_.shape[1]}"
+            )
+
+        # Select the features
+        if self.features is None:
+            return X_
+
+        return X_[:, self.features_index_]
+
+    def _find_index(self, target: float) -> int:
+        if self.wavenumbers is None:
+            return target
+        wavenumbers = np.array(self.wavenumbers)
+        return np.argmin(np.abs(wavenumbers - target))
+
+    def _find_indices(self) -> np.ndarray:
+        return np.array([self._find_index(feature) for feature in self.features])

{chemotools-0.0.26.dist-info → chemotools-0.0.28.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: chemotools
-Version: 0.0.26
+Version: 0.0.28
 Summary: Package to integrate chemometrics in scikit-learn pipelines
 Home-page: https://github.com/paucablop/chemotools
 Author: Pau Cabaneros Lopez

{chemotools-0.0.26.dist-info → chemotools-0.0.28.dist-info}/RECORD

@@ -2,15 +2,17 @@ chemotools/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 chemotools/baseline/__init__.py,sha256=W61mEZU_9-sVGRkP2MJOIhd6e9KsOS1BYjxm1NOMIyM,373
 chemotools/baseline/air_pls.py,sha256=qn03l66IrxW7woFbRmRqCmfZHzQ7KKW8A7ogTxTHKo0,5443
 chemotools/baseline/ar_pls.py,sha256=OY2cpU2X6KIBR9ag3PAJXo_uQbniIV58zbUJxCxvZWs,4736
-chemotools/baseline/constant_baseline_correction.py,sha256=m6GKTAaCSjIjOK4Q3OHqdle5IyB4KFu04FzQofYt-oU,4221
+chemotools/baseline/constant_baseline_correction.py,sha256=97xpKOBOwT5EhrD5tf32ZfkyZpf0_bL-VtyUFng1hn4,4158
 chemotools/baseline/cubic_spline_correction.py,sha256=PCHqR7TAhbdlTZrxgedlk0PU0kRUwQd_jymh0g-ieo8,3311
 chemotools/baseline/linear_correction.py,sha256=6Sw2n4QTvIDKWRdJpFD48hMvOEwqbctUAQLF1WwcoXs,3381
 chemotools/baseline/non_negative.py,sha256=17_82l95U9kgoQ3Pdz3-jGv8B51JzqPdHODt6PegWRw,2864
 chemotools/baseline/polynomial_correction.py,sha256=caP866fwZb7PASyz6oezgg8hdZtFMT0EimK89TGSTSc,4059
 chemotools/baseline/subtract_reference.py,sha256=Pht87XadXK0URq2fun66OHaUk_cx56AkF84ta3VJy_8,3441
-chemotools/datasets/__init__.py,sha256=yarhf-7bKB-mbStdWfi9LA_apOusoxY5A9bcwyzj10M,85
-chemotools/datasets/_base.py,sha256=ArZrVRW5m5yO13iK_EycvV8gheiWKR9hoSZCD_OfS1g,2249
+chemotools/datasets/__init__.py,sha256=ojqxb-C_eDmizwUqVCJ8BqJxwULD7_hWCyVIA1uRO0c,116
+chemotools/datasets/_base.py,sha256=Z174CaIlpx17Yu8Pg1qZPuHWkS3BYWn7gtOYsoe8zNk,2895
 chemotools/datasets/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+chemotools/datasets/data/coffee_labels.csv,sha256=ZXQWQIf8faLHjdnHfRoXfxMR56kq9Q1BGPZBkQyhGlY,487
+chemotools/datasets/data/coffee_spectra.csv,sha256=VA-sN4u0hC5iALlRxxkj-K87Lz3b3mmUHBJPoDXychI,2206147
 chemotools/datasets/data/fermentation_hplc.csv,sha256=AMmiFQxwaXrH8aN310-3h1YQDiDrT8JNRv1RDvhEvg4,2140
 chemotools/datasets/data/fermentation_spectra.csv,sha256=MaaNMQP0lygJgFbEoUX0OUqdA-id8mF5Llvf_vj9tJk,15237508
 chemotools/datasets/data/train_hplc.csv,sha256=DjtmqiePOWB-F6TsOGFngE1pKyXkb7Xmsi-1CLxsTnE,249
@@ -18,10 +20,10 @@ chemotools/datasets/data/train_spectra.csv,sha256=iVF19W52NHlbqq8BbLomn8n47kSPT0
 chemotools/derivative/__init__.py,sha256=x2F0IJ-uCbEYFoXFbZl_RTPCbSq82vqGOwlM9R_2Klo,84
 chemotools/derivative/norris_william.py,sha256=JaJ7zlSiC_0tiITu7VWXtgKrmkQP7gLvuFb0_n1j9Dw,5081
 chemotools/derivative/savitzky_golay.py,sha256=fFzQRVGVXQIUkHp1x9dqfLVPlyStubIhSj9aGfZKuXY,3745
-chemotools/scale/__init__.py,sha256=qRDhHXhkwXrr0a9ctKVpjp8X8H8Wcu2pelavehv-8ik,115
-chemotools/scale/index_scaler.py,sha256=GsSVEfhVud-ZSVF7YwJBbix976W4a-1SXtbjUtQdqZ4,2661
+chemotools/scale/__init__.py,sha256=HuXy_TktvXLTMWoW0pKhVCzMOkRkMRnvWCGiIKvjvZ8,115
 chemotools/scale/min_max_scaler.py,sha256=f1bGkODTWGwfnfMfWPimVxIZC3WIikgthQh-zUiaQUU,3123
 chemotools/scale/norm_scaler.py,sha256=qNs-npf5Jqcp8RYqt88_5-zwd-yIo-J1jItgUTFeozs,2699
+chemotools/scale/point_scaler.py,sha256=LGSmZwuEYLxzVPgH-_aRk9SjOdmyQTxdguqRdBfqCwc,3540
 chemotools/scatter/__init__.py,sha256=M0_B4hXVoDc2Qx00QreUfhFqPUTs6LbU4CWaFU17hg4,288
 chemotools/scatter/extended_multiplicative_scatter_correction.py,sha256=J65hyEFBzKNo_35Ta9MKWO35CjTw-8hDbSr8xd8RIfc,6912
 chemotools/scatter/multiplicative_scatter_correction.py,sha256=MFemiwS-KWFOtlcXVhLnY4mn6QQ8pttuj6UP0rodXEM,5689
@@ -34,15 +36,16 @@ chemotools/smooth/savitzky_golay_filter.py,sha256=OlkW4-gHsgk7HFf7yeweKkL6aOZpNq
 chemotools/smooth/whittaker_smooth.py,sha256=OVEYEstsURgkLbjwRiBWeN_XNs_JOFeD60uyZsVtrHQ,3664
 chemotools/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 chemotools/utils/check_inputs.py,sha256=fRAV4HIaGamdj_PNXSNnl7LurXytACNTGO51rhPpMUY,512
-chemotools/variable_selection/__init__.py,sha256=E5WmqGRkM6XgzmhTolP3Tu9KyCtEDk_Jcc1bEHvxVEg,31
-chemotools/variable_selection/range_cut.py,sha256=xNEnUJTdQeMnfeiOvX7BDo2ySZEoftRaI7BIsms_Mlo,4204
+chemotools/variable_selection/__init__.py,sha256=6gKxCAoGKAOhhTerUyBg_62YKCIr0K4mbDcoDfbMJeA,75
+chemotools/variable_selection/range_cut.py,sha256=1uH_nwYXEn_N1NY14n4uXpVvO6VVpM8zHea1cbHyZu4,4141
+chemotools/variable_selection/select_features.py,sha256=pcoFmGZLUPjtRytGpnqK8YdVj3Z5hwKGSJ10VxCpg58,4164
 tests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 tests/fixtures.py,sha256=Xa-Vd62Kd1fyWg3PLUSP6iIkOK8etrbyOkMJTn3dvX8,1933
-tests/test_datasets.py,sha256=QwqZPLTcXG8f5ZeUJs5bq39v3kVnwSVxPRZ28spobUI,736
-tests/test_functionality.py,sha256=mR4gcHEWtzMCVbhsEzOCD2HfaSDO_fHosG6rcKanwYs,15568
-tests/test_sklearn_compliance.py,sha256=93RMkmqk4uhuz_wXIntPKCerxOxkQaAzJQwpDL57EaA,4593
-chemotools-0.0.26.dist-info/LICENSE,sha256=qtyOy2wDQVX9hxp58h3T-6Lmfv-mSCHoSRkcLUdM9bg,1070
-chemotools-0.0.26.dist-info/METADATA,sha256=gTNKoWiPNgbgoXWY8OGrLQgpY3sas-96ypUSjg0i9TM,5015
-chemotools-0.0.26.dist-info/WHEEL,sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A,92
-chemotools-0.0.26.dist-info/top_level.txt,sha256=eNcNcKSdo-1H_2gwSDrS__dr7BM3R73Cnn-pBiW5FEw,17
-chemotools-0.0.26.dist-info/RECORD,,
+tests/test_datasets.py,sha256=_3mMDYC-vUnb5BenMqvuhmkHI2PPIdsyq_nNu2ggH20,1055
+tests/test_functionality.py,sha256=QKfFFy_0XBDH36BK8mnkG0-UIVcPXb9PQgiPmjfJrWA,17629
+tests/test_sklearn_compliance.py,sha256=-DxSrJEK-sayGTYimTQFa4rJu93PtyBz91a5r5lCNXw,4773
+chemotools-0.0.28.dist-info/LICENSE,sha256=qtyOy2wDQVX9hxp58h3T-6Lmfv-mSCHoSRkcLUdM9bg,1070
+chemotools-0.0.28.dist-info/METADATA,sha256=WoCex9zO64rzBxbdK8WIVFE71ICyS1DY1w2CXc0aOvY,5015
+chemotools-0.0.28.dist-info/WHEEL,sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A,92
+chemotools-0.0.28.dist-info/top_level.txt,sha256=eNcNcKSdo-1H_2gwSDrS__dr7BM3R73Cnn-pBiW5FEw,17
+chemotools-0.0.28.dist-info/RECORD,,

tests/test_datasets.py

@@ -1,6 +1,19 @@
 import pandas as pd
 
-from chemotools.datasets import load_fermentation_test, load_fermentation_train
+from chemotools.datasets import load_coffee, load_fermentation_test, load_fermentation_train
+
+
+def test_load_coffee():
+    # Arrange
+
+    # Act
+    coffee_spectra, coffee_labels = load_coffee()
+
+    # Assert
+    assert coffee_spectra.shape == (60, 1841)
+    assert coffee_labels.shape == (60, 1)
+    assert isinstance(coffee_spectra, pd.DataFrame)
+    assert isinstance(coffee_labels, pd.DataFrame)
 
 
 def test_load_fermentation_test():

tests/test_functionality.py

@@ -10,7 +10,7 @@ from chemotools.baseline import (
     SubtractReference,
 )
 from chemotools.derivative import NorrisWilliams, SavitzkyGolay
-from chemotools.scale import IndexScaler, MinMaxScaler, NormScaler
+from chemotools.scale import MinMaxScaler, NormScaler, PointScaler
 from chemotools.scatter import (
     ExtendedMultiplicativeScatterCorrection,
     MultiplicativeScatterCorrection,
@@ -18,7 +18,7 @@ from chemotools.scatter import (
     StandardNormalVariate,
 )
 from chemotools.smooth import MeanFilter, MedianFilter, WhittakerSmooth
-from chemotools.variable_selection import RangeCut
+from chemotools.variable_selection import RangeCut, SelectFeatures
 from tests.fixtures import (
     spectrum,
     spectrum_arpls,
@@ -115,6 +115,19 @@ def test_extended_baseline_correction_with_weights():
     assert np.allclose(spectrum_emsc[0], reference, atol=1e-8)
 
 
+def test_extended_baseline_correction_with_no_reference():
+    # Arrange
+    spectrum = np.array([1.0, 2.0, 3.0, 4.0, 5.0]).reshape(1, -1)
+
+    # Act
+    emsc = ExtendedMultiplicativeScatterCorrection(use_mean=False, use_median=False)
+
+    # Assert
+    with pytest.raises(ValueError):
+        emsc.fit_transform(spectrum)
+
+
+
 def test_extended_baseline_correction_with_wrong_reference():
     # Arrange
     spectrum = np.array([1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0]).reshape(
@@ -182,17 +195,6 @@ def test_extended_baseline_correction_through_msc_median(spectrum):
     assert np.allclose(spectrum_emsc[0], spectrum_msc, atol=1e-8)
 
 
-def test_index_scaler(spectrum):
-    # Arrange
-    index_scaler = IndexScaler(index=0)
-    reference_spectrum = [value / spectrum[0][0] for value in spectrum[0]]
-    # Act
-    spectrum_corrected = index_scaler.fit_transform(spectrum)
-
-    # Assert
-    assert np.allclose(spectrum_corrected[0], reference_spectrum, atol=1e-8)
-
-
 def test_l1_norm(spectrum):
     # Arrange
     norm = 1
@@ -436,6 +438,31 @@ def test_norris_williams_wrong_filter():
         norris_williams_filter.fit_transform(array)
 
 
+def test_point_scaler(spectrum):
+    # Arrange
+    index_scaler = PointScaler(point=0)
+    reference_spectrum = [value / spectrum[0][0] for value in spectrum[0]]
+
+    # Act
+    spectrum_corrected = index_scaler.fit_transform(spectrum)
+
+    # Assert
+    assert np.allclose(spectrum_corrected[0], reference_spectrum, atol=1e-8)
+
+
+def test_point_scaler_with_wavenumbers():
+    # Arrange
+    wavenumbers = np.array([1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0])
+    spectrum = np.array([[10.0, 12.0, 14.0, 16.0, 14.0, 12.0, 10.0, 12.0, 14.0, 16.0]])
+
+    # Act
+    index_scaler = PointScaler(point=4, wavenumbers=wavenumbers)
+    spectrum_corrected = index_scaler.fit_transform(spectrum)
+
+    # Assert
+    assert np.allclose(spectrum_corrected[0], spectrum[0] / spectrum[0][3], atol=1e-8)
+
+
 def test_range_cut_by_index(spectrum):
     # Arrange
     range_cut = RangeCut(start=0, end=10)
@@ -529,6 +556,47 @@ def test_saviszky_golay_filter_3():
     assert np.allclose(spectrum_corrected[0], np.ones((1, 10)), atol=1e-2)
 
 
+def test_select_features():
+    # Arrange
+    spectrum = np.array([[1, 2, 3, 4, 5, 6, 7, 8, 9, 10]])
+
+    # Act
+    select_features = SelectFeatures()
+    spectrum_corrected = select_features.fit_transform(spectrum)
+
+    # Assert
+    assert np.allclose(spectrum_corrected[0], spectrum[0], atol=1e-8)
+
+
+def test_select_features_with_index():
+    # Arrange
+    spectrum = np.array([[1, 2, 3, 4, 5, 6, 7, 8, 9, 10]])
+    expected = np.array([[1, 2, 3, 8, 9, 10]])
+
+    # Act
+    select_features = SelectFeatures(features=np.array([0, 1, 2, 7, 8, 9]))
+    spectrum_corrected = select_features.fit_transform(spectrum)
+
+    # Assert
+    assert np.allclose(spectrum_corrected[0], expected, atol=1e-8)
+
+
+def test_select_features_with_wavenumbers():
+    # Arrange
+    wavenumbers = np.array([1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0])
+    spectrum = np.array([[1.0, 2.0, 3.0, 5.0, 8.0, 13.0, 21.0, 34.0, 55.0, 89.0]])
+    expected = np.array([[1.0, 2.0, 3.0, 34.0, 55.0, 89.0]])
+
+    # Act
+    select_features = SelectFeatures(
+        features=np.array([1, 2, 3, 8, 9, 10]), wavenumbers=wavenumbers
+    )
+    spectrum_corrected = select_features.fit_transform(spectrum)
+
+    # Assert
+    assert np.allclose(spectrum_corrected[0], expected, atol=1e-8)
+
+
 def test_standard_normal_variate(spectrum, reference_snv):
     # Arrange
     snv = StandardNormalVariate()

tests/test_sklearn_compliance.py

@@ -11,7 +11,7 @@ from chemotools.baseline import (
     SubtractReference,
 )
 from chemotools.derivative import NorrisWilliams, SavitzkyGolay
-from chemotools.scale import IndexScaler, MinMaxScaler, NormScaler
+from chemotools.scale import MinMaxScaler, NormScaler, PointScaler
 from chemotools.scatter import (
     ExtendedMultiplicativeScatterCorrection,
     MultiplicativeScatterCorrection,
@@ -24,7 +24,7 @@ from chemotools.smooth import (
     SavitzkyGolayFilter,
     WhittakerSmooth,
 )
-from chemotools.variable_selection import RangeCut
+from chemotools.variable_selection import RangeCut, SelectFeatures
 
 from tests.fixtures import spectrum
 
@@ -68,13 +68,6 @@ def test_compliance_extended_multiplicative_scatter_correction():
     # Act & Assert
     check_estimator(transformer) 
 
-# IndexScaler
-def test_compliance_index_scaler():
-    # Arrange
-    transformer = IndexScaler()
-    # Act & Assert
-    check_estimator(transformer)
-
 
 # LinearCorrection
 def test_compliance_linear_correction():
@@ -148,6 +141,14 @@ def test_compliance_norris_williams_2():
     check_estimator(transformer)
 
 
+# PointScaler
+def test_compliance_point_scaler():
+    # Arrange
+    transformer = PointScaler()
+    # Act & Assert
+    check_estimator(transformer)
+
+    
 # PolynomialCorrection
 def test_compliance_polynomial_correction():
     # Arrange
@@ -172,6 +173,14 @@ def test_compliance_savitzky_golay_filter():
     check_estimator(transformer)
 
 
+# SelectFeatures
+def test_compliance_select_features():
+    # Arrange
+    transformer = SelectFeatures()
+    # Act & Assert
+    check_estimator(transformer)
+
+
 # StandardNormalVariate
 def test_compliance_standard_normal_variate():
     # Arrange