uw-ipd / tmol

TMol
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Dimaio/remove old scoreterms #294

Closed fdimaio closed 7 months ago

fdimaio commented 7 months ago

Rebasing this branch on block_pair_scoring branch.

Removes much of the code from the old scoring system.

See #282 for additional info.

codecov[bot] commented 7 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

:exclamation: No coverage uploaded for pull request base (dimaio/block_pair_scoring@28026fa). Click here to learn what that means.

:exclamation: Current head d6c1683 differs from pull request most recent head 2e4bc99. Consider uploading reports for the commit 2e4bc99 to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## dimaio/block_pair_scoring #294 +/- ## ============================================================ Coverage ? 94.69% ============================================================ Files ? 299 Lines ? 20411 Branches ? 0 ============================================================ Hits ? 19329 Misses ? 1082 Partials ? 0 ``` | [Flag](https://app.codecov.io/gh/uw-ipd/tmol/pull/294/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/294/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `89.89% <100.00%> (?)` | | | [_shrug_Testing_CPU_debug_w_o_jit](https://app.codecov.io/gh/uw-ipd/tmol/pull/294/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.15% <100.00%> (?)` | | | [_shrug_Testing_CUDA](https://app.codecov.io/gh/uw-ipd/tmol/pull/294/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.43% <100.00%> (?)` | | 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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jflat06 commented 7 months ago

Seems like codecov may have caught some more unused old scoring code that can be removed.

fdimaio commented 7 months ago

Seems like codecov may have caught some more unused old scoring code that can be removed.

Updated.

jflat06 commented 7 months ago

Just as a note, with our squashing the history, there's currently a lot of functionality wrapped up in a single commit with the block pair scoring PR now.

fdimaio commented 7 months ago

Just as a note, with our squashing the history, there's currently a lot of functionality wrapped up in a single commit with the block pair scoring PR now.

This is true. Perhaps it makes more sense to merge this branch first (what else is needed?) and then merge the code removal to master?

jflat06 commented 7 months ago

Just as a note, with our squashing the history, there's currently a lot of functionality wrapped up in a single commit with the block pair scoring PR now.

This is true. Perhaps it makes more sense to merge this branch first (what else is needed?) and then merge the code removal to master?

By 'this' branch do you mean the block_pair_scoring branch? I think that would be reasonable, but I am not hung up on it if we just want to combine them. More a note for the future that we may want to keep things more thematically cohesive (I am also guilty of this with including the testing infrastructure changes in with block_pair_scoring).