uw-ipd / tmol

TMol
Apache License 2.0
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New score module for dunbrack #233

Closed milkshakeiii closed 3 years ago

milkshakeiii commented 3 years ago

Adding the replacement for the old score graph for dunbrack

milkshakeiii commented 3 years ago

@fdimaio Here is the pull request- but it's not ready yet! I have a question for Friday that I've written above in comments. Thanks!

codecov[bot] commented 3 years ago

Codecov Report

Merging #233 (10e575f) into master (9208752) will increase coverage by 0.05%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #233      +/-   ##
==========================================
+ Coverage   93.84%   93.89%   +0.05%     
==========================================
  Files         262      264       +2     
  Lines       12565    12677     +112     
==========================================
+ Hits        11791    11903     +112     
  Misses        774      774              
Flag Coverage Δ
_shrug_Testing_CPU 91.59% <100.00%> (+0.07%) :arrow_up:
_shrug_Testing_CPU_w_o_jit 90.26% <100.00%> (+0.08%) :arrow_up:
_shrug_Testing_CUDA 92.02% <100.00%> (+0.07%) :arrow_up:

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Impacted Files Coverage Δ
tmol/tests/score/modules/test_elec.py 100.00% <ø> (ø)
tmol/tests/score/modules/test_hbond.py 100.00% <ø> (ø)
tmol/tests/score/modules/test_ljlk.py 100.00% <ø> (ø)
tmol/tests/score/modules/test_lk_ball.py 100.00% <ø> (ø)
tmol/score/modules/dunbrack.py 100.00% <100.00%> (ø)
tmol/system/score_support.py 99.31% <100.00%> (+0.03%) :arrow_up:
tmol/tests/score/modules/test_dunbrack.py 100.00% <100.00%> (ø)

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