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.
- {chemotools-0.1.16 → chemotools-0.1.17}/.github/workflows/python-release.yml +13 -1
- {chemotools-0.1.16 → chemotools-0.1.17}/PKG-INFO +2 -1
- {chemotools-0.1.16 → chemotools-0.1.17}/pyproject.toml +4 -1
- {chemotools-0.1.16 → chemotools-0.1.17}/uv.lock +555 -1
- {chemotools-0.1.16 → chemotools-0.1.17}/.gitattributes +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/.github/dependabot.yml +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/.github/labels.yml +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/.github/release-drafter.yml +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/.github/workflows/ci.yml +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/.github/workflows/release-drafter.yml +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/.gitignore +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/CODE_OF_CONDUCT.md +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/CONTRIBUTING.md +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/LICENSE +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/README.md +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/SECURITY.md +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/Taskfile.yml +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/assets/images/banner_dark.png +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/assets/images/banner_light.png +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/assets/images/logo_pixel.png +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_add_noise.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_baseline_shift.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_fractional_shift.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_gaussian_broadening.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_index_shift.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/augmentation/_spectrum_scale.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_air_pls.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_ar_pls.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_constant_baseline_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_cubic_spline_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_linear_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_non_negative.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_polynomial_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/baseline/_subtract_reference.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/_base.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/coffee_labels.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/coffee_spectra.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/fermentation_hplc.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/fermentation_spectra.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/train_hplc.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/datasets/data/train_spectra.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/derivative/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/derivative/_norris_william.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/derivative/_savitzky_golay.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_base.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_index_selector.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_range_cut.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_sr_selector.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/feature_selection/_vip_selector.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/_base.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/dmodx.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/hotelling_t2.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/leverage.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/q_residuals.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/studentized_residuals.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/outliers/utils.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/_min_max_scaler.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/_norm_scaler.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scale/_point_scaler.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_extended_multiplicative_scatter_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_multiplicative_scatter_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_robust_normal_variate.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/scatter/_standard_normal_variate.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_mean_filter.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_median_filter.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_savitzky_golay_filter.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/smooth/_whittaker_smooth.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/chemotools/utils/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/__init__.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_add_noise.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_baseline_shift.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_fractional_shift.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_gaussian_broadening.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_index_shift.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/augmentation/test_spectrum_scale.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_air_pls.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_ar_pls.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_constant_baseline.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_cubic_spline_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_linear_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_non_negative.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_polynomial_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/baseline/test_subtract_reference.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/conftest.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/datasets/test_datasets.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/derivative/test_norris_williams.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/derivative/test_savitzky_golay.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_index_selector.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_range_cut.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_sr_selector.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/feature_selection/test_vip_selector.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_base.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_leverage.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_residuals.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/outliers/test_studentized_residuals.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_airpls.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_arpls.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_msc_mean.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_msc_median.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_sg_15_2.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_snv.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/reference_whittaker.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/spectrum.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/resources/spectrum_arpls.csv +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scale/test_min_max_scaler.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scale/test_norm_scaler.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scale/test_point_scaler.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_extended_multiplicative_scatter_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_multiplicative_scatter_correction.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_robust_normal_variate.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/scatter/test_standard_normal_variate.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_mean_filter.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_median_filter.py +0 -0
- {chemotools-0.1.16 → chemotools-0.1.17}/tests/smooth/test_savitzky_golay_filter.py +0 -0
- {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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# 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-${{ github.event.release.tag_name }}-sbom.json
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# 5. Upload SBOM as a release asset
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- name: Upload SBOM to release
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uses: softprops/action-gh-release@v1
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with:
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files: chemotools-${{ github.event.release.tag_name }}-sbom.json
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env:
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GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
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Metadata-Version: 2.4
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Name: chemotools
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Version: 0.1.
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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
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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'
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[project]
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name = "chemotools"
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version = "0.1.
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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"
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[project.optional-dependencies]
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dev = [
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"pytest>=8.3.0,<9",
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"pytest-cov>=6.3.0",
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module = ["sklearn", "sklearn.*", "setuptools", "setuptools.*"]
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ignore_missing_imports = true
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