search

uw-ipd / tmol

TMol
Apache License 2.0
31 stars 3 forks source link

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

Closed aleaverfay closed 11 months ago

aleaverfay commented 11 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 11 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.

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.