chemotools 0.1.16__tar.gz → 0.1.17__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (125) hide show
  1. {chemotools-0.1.16 → chemotools-0.1.17}/.github/workflows/python-release.yml +13 -1
  2. {chemotools-0.1.16 → chemotools-0.1.17}/PKG-INFO +2 -1
  3. {chemotools-0.1.16 → chemotools-0.1.17}/pyproject.toml +4 -1
  4. {chemotools-0.1.16 → chemotools-0.1.17}/uv.lock +555 -1
  5. {chemotools-0.1.16 → chemotools-0.1.17}/.gitattributes +0 -0
  6. {chemotools-0.1.16 → chemotools-0.1.17}/.github/dependabot.yml +0 -0
  7. {chemotools-0.1.16 → chemotools-0.1.17}/.github/labels.yml +0 -0
  8. {chemotools-0.1.16 → chemotools-0.1.17}/.github/release-drafter.yml +0 -0
  9. {chemotools-0.1.16 → chemotools-0.1.17}/.github/workflows/ci.yml +0 -0
  10. {chemotools-0.1.16 → chemotools-0.1.17}/.github/workflows/release-drafter.yml +0 -0
  11. {chemotools-0.1.16 → chemotools-0.1.17}/.gitignore +0 -0
  12. {chemotools-0.1.16 → chemotools-0.1.17}/CODE_OF_CONDUCT.md +0 -0
  13. {chemotools-0.1.16 → chemotools-0.1.17}/CONTRIBUTING.md +0 -0
  14. {chemotools-0.1.16 → chemotools-0.1.17}/LICENSE +0 -0
  15. {chemotools-0.1.16 → chemotools-0.1.17}/README.md +0 -0
  16. {chemotools-0.1.16 → chemotools-0.1.17}/SECURITY.md +0 -0
  17. {chemotools-0.1.16 → chemotools-0.1.17}/Taskfile.yml +0 -0
  18. {chemotools-0.1.16 → chemotools-0.1.17}/assets/images/banner_dark.png +0 -0
  19. {chemotools-0.1.16 → chemotools-0.1.17}/assets/images/banner_light.png +0 -0
  20. {chemotools-0.1.16 → chemotools-0.1.17}/assets/images/logo_pixel.png +0 -0
  21. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/__init__.py +0 -0
  22. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/__init__.py +0 -0
  23. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_add_noise.py +0 -0
  24. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_baseline_shift.py +0 -0
  25. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_fractional_shift.py +0 -0
  26. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_gaussian_broadening.py +0 -0
  27. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_index_shift.py +0 -0
  28. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_spectrum_scale.py +0 -0
  29. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/__init__.py +0 -0
  30. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_air_pls.py +0 -0
  31. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_ar_pls.py +0 -0
  32. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_constant_baseline_correction.py +0 -0
  33. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_cubic_spline_correction.py +0 -0
  34. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_linear_correction.py +0 -0
  35. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_non_negative.py +0 -0
  36. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_polynomial_correction.py +0 -0
  37. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_subtract_reference.py +0 -0
  38. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/__init__.py +0 -0
  39. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/_base.py +0 -0
  40. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/__init__.py +0 -0
  41. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/coffee_labels.csv +0 -0
  42. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/coffee_spectra.csv +0 -0
  43. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/fermentation_hplc.csv +0 -0
  44. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/fermentation_spectra.csv +0 -0
  45. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/train_hplc.csv +0 -0
  46. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/train_spectra.csv +0 -0
  47. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/derivative/__init__.py +0 -0
  48. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/derivative/_norris_william.py +0 -0
  49. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/derivative/_savitzky_golay.py +0 -0
  50. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/__init__.py +0 -0
  51. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_base.py +0 -0
  52. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_index_selector.py +0 -0
  53. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_range_cut.py +0 -0
  54. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_sr_selector.py +0 -0
  55. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_vip_selector.py +0 -0
  56. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/__init__.py +0 -0
  57. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/_base.py +0 -0
  58. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/dmodx.py +0 -0
  59. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/hotelling_t2.py +0 -0
  60. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/leverage.py +0 -0
  61. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/q_residuals.py +0 -0
  62. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/studentized_residuals.py +0 -0
  63. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/utils.py +0 -0
  64. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/__init__.py +0 -0
  65. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/_min_max_scaler.py +0 -0
  66. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/_norm_scaler.py +0 -0
  67. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/_point_scaler.py +0 -0
  68. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/__init__.py +0 -0
  69. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_extended_multiplicative_scatter_correction.py +0 -0
  70. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_multiplicative_scatter_correction.py +0 -0
  71. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_robust_normal_variate.py +0 -0
  72. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_standard_normal_variate.py +0 -0
  73. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/__init__.py +0 -0
  74. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_mean_filter.py +0 -0
  75. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_median_filter.py +0 -0
  76. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_savitzky_golay_filter.py +0 -0
  77. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_whittaker_smooth.py +0 -0
  78. {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/utils/__init__.py +0 -0
  79. {chemotools-0.1.16 → chemotools-0.1.17}/tests/__init__.py +0 -0
  80. {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_add_noise.py +0 -0
  81. {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_baseline_shift.py +0 -0
  82. {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_fractional_shift.py +0 -0
  83. {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_gaussian_broadening.py +0 -0
  84. {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_index_shift.py +0 -0
  85. {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_spectrum_scale.py +0 -0
  86. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_air_pls.py +0 -0
  87. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_ar_pls.py +0 -0
  88. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_constant_baseline.py +0 -0
  89. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_cubic_spline_correction.py +0 -0
  90. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_linear_correction.py +0 -0
  91. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_non_negative.py +0 -0
  92. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_polynomial_correction.py +0 -0
  93. {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_subtract_reference.py +0 -0
  94. {chemotools-0.1.16 → chemotools-0.1.17}/tests/conftest.py +0 -0
  95. {chemotools-0.1.16 → chemotools-0.1.17}/tests/datasets/test_datasets.py +0 -0
  96. {chemotools-0.1.16 → chemotools-0.1.17}/tests/derivative/test_norris_williams.py +0 -0
  97. {chemotools-0.1.16 → chemotools-0.1.17}/tests/derivative/test_savitzky_golay.py +0 -0
  98. {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_index_selector.py +0 -0
  99. {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_range_cut.py +0 -0
  100. {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_sr_selector.py +0 -0
  101. {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_vip_selector.py +0 -0
  102. {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_base.py +0 -0
  103. {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_leverage.py +0 -0
  104. {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_residuals.py +0 -0
  105. {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_studentized_residuals.py +0 -0
  106. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_airpls.csv +0 -0
  107. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_arpls.csv +0 -0
  108. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_msc_mean.csv +0 -0
  109. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_msc_median.csv +0 -0
  110. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_sg_15_2.csv +0 -0
  111. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_snv.csv +0 -0
  112. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_whittaker.csv +0 -0
  113. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/spectrum.csv +0 -0
  114. {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/spectrum_arpls.csv +0 -0
  115. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scale/test_min_max_scaler.py +0 -0
  116. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scale/test_norm_scaler.py +0 -0
  117. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scale/test_point_scaler.py +0 -0
  118. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_extended_multiplicative_scatter_correction.py +0 -0
  119. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_multiplicative_scatter_correction.py +0 -0
  120. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_robust_normal_variate.py +0 -0
  121. {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_standard_normal_variate.py +0 -0
  122. {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_mean_filter.py +0 -0
  123. {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_median_filter.py +0 -0
  124. {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_savitzky_golay_filter.py +0 -0
  125. {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_whittaker_smooth.py +0 -0
@@ -44,4 +44,16 @@ jobs:
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  # 3. Publish to PyPI
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  - name: Publish package distributions to PyPI
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- uses: pypa/gh-action-pypi-publish@release/v1
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+ uses: pypa/gh-action-pypi-publish@release/v1
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+
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+ # 4. Create SBOM
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+ - name: Create SBOM and attach to the release
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+ run: uv run cyclonedx-py 'environment' --output-format=json --output-file=chemotools-${{ github.event.release.tag_name }}-sbom.json
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+
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+ # 5. Upload SBOM as a release asset
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+ - name: Upload SBOM to release
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+ uses: softprops/action-gh-release@v1
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+ with:
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+ files: chemotools-${{ github.event.release.tag_name }}-sbom.json
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+ env:
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+ GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: chemotools
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- Version: 0.1.16
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+ Version: 0.1.17
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  Summary: chemotools: A Python Package that Integrates Chemometrics and scikit-learn
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  Author: Pau Cabaneros
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  License-Expression: MIT
@@ -12,6 +12,7 @@ Requires-Dist: polars<2,>=1.17.0
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  Requires-Dist: pyarrow<21,>=18
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  Requires-Dist: scikit-learn<2,>=1.4.0
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  Provides-Extra: dev
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+ Requires-Dist: cyclonedx-bom>=7.1.0; extra == 'dev'
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  Requires-Dist: mypy<2,>=1.13.0; extra == 'dev'
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  Requires-Dist: pandas-stubs<3,>=2.2.3.241126; extra == 'dev'
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  Requires-Dist: pytest-cov>=6.3.0; extra == 'dev'
@@ -1,6 +1,6 @@
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  [project]
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  name = "chemotools"
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- version = "0.1.16"
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+ version = "0.1.17"
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  description = "chemotools: A Python Package that Integrates Chemometrics and scikit-learn"
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  authors = [{ name = "Pau Cabaneros" }]
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  requires-python = ">=3.10"
@@ -16,6 +16,7 @@ dependencies = [
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  [project.optional-dependencies]
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  dev = [
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+ "cyclonedx-bom>=7.1.0",
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  "pytest>=8.3.0,<9",
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  "pytest-cov>=6.3.0",
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  "ruff>=0.8.0,<0.9",
@@ -38,3 +39,5 @@ filterwarnings = "always"
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  module = ["sklearn", "sklearn.*", "setuptools", "setuptools.*"]
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  ignore_missing_imports = true
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+