codecov[bot]
commented
1 year ago Codecov Report
Patch coverage: 100.00% and no project coverage change.
Comparison is base (
738bf49) 87.12% compared to head (0096908) 87.13%.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #1127 +/- ## ======================================= Coverage 87.12% 87.13% ======================================= Files 62 62 Lines 6448 6451 +3 ======================================= + Hits 5618 5621 +3 Misses 830 830 ``` | [Impacted Files](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1127?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/1127?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% <100.00%> (+<0.01%)` | :arrow_up: |:umbrella: View full report in Codecov by Sentry.
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chrisiacovella
PR Summary:
This addresses issue #1125 whereby the freud_generate_bonds routine was not finding all bonds when looking for bonds between two different species
As detailed in the issue, this was caused by the way in which we pass the particles to freud during the calculation of neighbors. Ultimately, the fix for this is relatively straight forward to implement. If name_a == name_b, then exclude_ii = True; If name_a != name_b, then exclude_ii = False. This is now automatically toggled by the code, and users no longer have the option to change this.
An additional test is included now that looks at a system where the two specifies are unique, as the original tests did not include this.
PR Checklist