chemotools 0.0.23__py3-none-any.whl → 0.0.24__py3-none-any.whl

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Files changed (14) hide show
  1. chemotools/datasets/__init__.py +2 -0
  2. chemotools/datasets/_base.py +52 -0
  3. chemotools/datasets/data/__init__.py +0 -0
  4. chemotools/datasets/data/fermentation_hplc.csv +35 -0
  5. chemotools/datasets/data/fermentation_spectra.csv +1630 -0
  6. chemotools/datasets/data/train_hplc.csv +22 -0
  7. chemotools/datasets/data/train_spectra.csv +22 -0
  8. chemotools/scatter/extended_multiplicative_scatter_correction.py +5 -0
  9. {chemotools-0.0.23.dist-info → chemotools-0.0.24.dist-info}/METADATA +2 -1
  10. {chemotools-0.0.23.dist-info → chemotools-0.0.24.dist-info}/RECORD +14 -6
  11. {chemotools-0.0.23.dist-info → chemotools-0.0.24.dist-info}/WHEEL +1 -1
  12. tests/test_datasets.py +30 -0
  13. {chemotools-0.0.23.dist-info → chemotools-0.0.24.dist-info}/LICENSE +0 -0
  14. {chemotools-0.0.23.dist-info → chemotools-0.0.24.dist-info}/top_level.txt +0 -0
tests/test_datasets.py ADDED
@@ -0,0 +1,30 @@
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+ import pandas as pd
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+
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+ from chemotools.datasets import load_fermentation_test, load_fermentation_train
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+
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+
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+ def test_load_fermentation_test():
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+ # Arrange
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+
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+ # Act
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+ test_spectra, test_hplc = load_fermentation_test()
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+
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+ # Assert
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+ assert test_spectra.shape == (1629, 1047)
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+ assert test_hplc.shape == (34, 6)
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+ assert isinstance(test_spectra, pd.DataFrame)
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+ assert isinstance(test_hplc, pd.DataFrame)
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+
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+ def test_load_fermentation_train():
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+ # Arrange
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+
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+ # Act
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+ train_spectra, train_hplc = load_fermentation_train()
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+
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+ # Assert
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+ assert train_spectra.shape == (21, 1047)
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+ assert train_hplc.shape == (21, 1)
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+ assert isinstance(train_spectra, pd.DataFrame)
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+ assert isinstance(train_hplc, pd.DataFrame)
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+
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+