codecov[bot]
commented
1 year ago Codecov Report
Patch coverage: 100.00% and no project coverage change.
Comparison is base (
474b65f) 87.11% compared to head (3491b5e) 87.11%.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #1129 +/- ## ======================================= Coverage 87.11% 87.11% ======================================= Files 62 62 Lines 6451 6451 ======================================= Hits 5620 5620 Misses 831 831 ``` | [Impacted Files](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1129?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub) | Coverage Δ | | |---|---|---| | [mbuild/compound.py](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1129?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub#diff-bWJ1aWxkL2NvbXBvdW5kLnB5) | `97.12% <ø> (ø)` | | | [mbuild/utils/io.py](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1129?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub#diff-bWJ1aWxkL3V0aWxzL2lvLnB5) | `83.62% <100.00%> (ø)` | |:umbrella: View full report in Codecov by Sentry.
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PR Summary:
I bump into the case when visualize big compound becomes extremely slow. I was able to determine the bottle neck, which is the
pull_residuesstep when converting from mbuild to parmed (to save out to a mol2 file) when theinfer_residueisTrue. This PR will turn that option off, and we probably need to look into optimize thepull_residuesmethod in the near future.PR Checklist