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usnistgov / jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
https://pages.nist.gov/jarvis/
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Uncertainty module added. #124

Closed tavazza closed 4 years ago

codecov-io commented 4 years ago

Codecov Report

Merging #124 into master will not change coverage. The diff coverage is n/a.

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@@           Coverage Diff           @@
##           master     #124   +/-   ##
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  Coverage   77.19%   77.19%           
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  Files          61       61           
  Lines        8639     8639           
=======================================
  Hits         6669     6669           
  Misses       1970     1970

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knc6 commented 4 years ago

Hi @tavazza

Thank you for you contribution. Following changes are needed:

1) Please remove this line (https://github.com/usnistgov/jarvis/blob/87aaebdf4b83ba3f1b28d816dc692e326c1e6878/jarvis/ai/uncertainty/lgbm_quantile_uncertainty.py#L7) as we are no longer using monty anymore.

2) Please remove this function (https://github.com/usnistgov/jarvis/blob/87aaebdf4b83ba3f1b28d816dc692e326c1e6878/jarvis/ai/uncertainty/lgbm_quantile_uncertainty.py#L280), because we already have this as "from jarvis.ai.pkgs.utils import get_ml_data". See example here: https://github.com/usnistgov/jarvis/blob/af60b3744eec604fc9a04711f580aee0897dc99b/jarvis/tests/testfiles/ai/test_pkgs.py#L21

3) Please move the test function (https://github.com/usnistgov/jarvis/blob/87aaebdf4b83ba3f1b28d816dc692e326c1e6878/jarvis/ai/uncertainty/lgbm_quantile_uncertainty.py#L495) to https://github.com/usnistgov/jarvis/tree/87aaebdf4b83ba3f1b28d816dc692e326c1e6878/jarvis/tests/testfiles/ai as a new file "test_lgbm_uncertainty.py".

4) You can run https://github.com/usnistgov/jarvis/blob/af60b3744eec604fc9a04711f580aee0897dc99b/.github/workflows/action_build.yml#L30 (line 30-32) to see if all tests are passing or not and if test percentage is above 93%.

5) Similarly, for linting tests, use the following: https://github.com/usnistgov/jarvis/blob/af60b3744eec604fc9a04711f580aee0897dc99b/.github/workflows/action_lint.yml#L29

knc6 commented 4 years ago

@tavazza I'll add the pytests for you and will let you know to confirm.