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uw-ipd / tmol

TMol
Apache License 2.0
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Add validate_args decorators to API functions in tmol.io #289

Closed aleaverfay closed 5 months ago

aleaverfay commented 6 months ago

Add the @validate_args function to all API calls; add the most important classes to__init__.py

If you import tmol, you should have access to PoseStack and ScoreFunction and the other classes you are most likely to pass around between functions in your external project.

This PR also adds type hints to all the API functions listed in tmol/tmol/init.py

codecov[bot] commented 5 months ago

Codecov Report

Attention: Patch coverage is 99.03846% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 95.26%. Comparing base (ace29a8) to head (437fcd4). Report is 9 commits behind head on master.

Files Patch % Lines
tmol/io/canonical_ordering.py 96.87% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #289 +/- ## ========================================== + Coverage 94.93% 95.26% +0.32% ========================================== Files 374 383 +9 Lines 23883 25635 +1752 ========================================== + Hits 22673 24420 +1747 - Misses 1210 1215 +5 ``` | [Flag](https://app.codecov.io/gh/uw-ipd/tmol/pull/289/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | Coverage Δ | | |---|---|---| | [_shrug_Testing_CPU](https://app.codecov.io/gh/uw-ipd/tmol/pull/289/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `90.80% <99.03%> (+0.77%)` | :arrow_up: | | [_shrug_Testing_CPU_debug_w_o_jit](https://app.codecov.io/gh/uw-ipd/tmol/pull/289/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.49% <99.03%> (?)` | | | [_shrug_Testing_CPU_w_o_jit](https://app.codecov.io/gh/uw-ipd/tmol/pull/289/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `?` | | | [_shrug_Testing_CUDA](https://app.codecov.io/gh/uw-ipd/tmol/pull/289/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.86% <99.03%> (+0.48%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd#carryforward-flags-in-the-pull-request-comment) to find out more.

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aleaverfay commented 5 months ago

This PR is ready. @fdimaio @jflat06