uw-ipd / tmol

TMol
Apache License 2.0
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Solberg/omega new score graph #236

Closed milkshakeiii closed 3 years ago

milkshakeiii commented 3 years ago

This pull request includes the omega new score module, the last of the refactored score graph replacements.

codecov[bot] commented 3 years ago

Codecov Report

Merging #236 (e215cbb) into master (9208752) will increase coverage by 0.22%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #236      +/-   ##
==========================================
+ Coverage   93.84%   94.06%   +0.22%     
==========================================
  Files         262      270       +8     
  Lines       12565    13032     +467     
==========================================
+ Hits        11791    12258     +467     
  Misses        774      774              
Flag Coverage Δ
_shrug_Testing_CPU 90.01% <100.00%> (+0.37%) :arrow_up:
_shrug_Testing_CPU_w_o_jit 90.53% <100.00%> (+0.35%) :arrow_up:
_shrug_Testing_CUDA 92.24% <100.00%> (+0.28%) :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/cartbonded.py 100.00% <100.00%> (ø)
tmol/score/modules/dunbrack.py 100.00% <100.00%> (ø)
tmol/score/modules/omega.py 100.00% <100.00%> (ø)
tmol/score/modules/rama.py 100.00% <100.00%> (ø)
tmol/system/score_support.py 99.35% <100.00%> (+0.08%) :arrow_up:
tmol/tests/score/modules/test_cartbonded.py 100.00% <100.00%> (ø)
... and 11 more

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