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uw-ipd / tmol

TMol
Apache License 2.0
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Fix disulfide term's handling of placeholder residues (i.e. block type == -1) #285

Closed aleaverfay closed 9 months ago

aleaverfay commented 9 months ago

Add new unit test for jagged poses which contain placeholder residues which failed in the absence of the if (block_type != -1) check

codecov[bot] commented 9 months ago

Codecov Report

Attention: 2 lines in your changes are missing coverage. Please review.

Comparison is base (ace29a8) 94.93% compared to head (3ed8bf3) 95.00%. Report is 5 commits behind head on master.

Files Patch % Lines
tmol/io/pose_stack_construction.py 93.33% 1 Missing :warning:
tmol/tests/pack/sim_anneal/test_sim_anneal.py 0.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #285 +/- ## ========================================== + Coverage 94.93% 95.00% +0.07% ========================================== Files 374 377 +3 Lines 23883 24251 +368 ========================================== + Hits 22673 23040 +367 - Misses 1210 1211 +1 ``` | [Flag](https://app.codecov.io/gh/uw-ipd/tmol/pull/285/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/285/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `90.26% <94.23%> (+0.23%)` | :arrow_up: | | [_shrug_Testing_CPU_debug_w_o_jit](https://app.codecov.io/gh/uw-ipd/tmol/pull/285/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.04% <94.23%> (?)` | | | [_shrug_Testing_CPU_w_o_jit](https://app.codecov.io/gh/uw-ipd/tmol/pull/285/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/285/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.48% <99.24%> (+0.10%)` | :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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