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New release draft - adding test and checking the docs #85
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Pull Request Overview
This PR adds support for two new higher-order interaction metrics (AtomsPhiID
and DOtot
) to the HOI library along with comprehensive testing. The changes include updating the documentation formula for the DTC metric.
- Added imports and test coverage for
AtomsPhiID
andDOtot
metrics - Enhanced test data generation with new synthetic datasets for PhiID and DOtot metrics
- Updated DTC metric documentation with corrected mathematical formula
Reviewed Changes
Copilot reviewed 3 out of 3 changed files in this pull request and generated 3 comments.
File | Description |
---|---|
hoi/metrics/tests/test_metrics.py | Added comprehensive test coverage for new AtomsPhiID and DOtot metrics with synthetic data generation |
hoi/metrics/dtc.py | Updated mathematical formula in docstring documentation |
hoi/metrics/do_tot.py | Fixed class attributes including name, positive/negative interpretations, and minimum size constraint |
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Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Signed-off-by: Mattehub <81259810+Mattehub@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Signed-off-by: Mattehub <81259810+Mattehub@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Signed-off-by: Mattehub <81259810+Mattehub@users.noreply.github.com>
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