mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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handle hoomd 4 #1128

Closed daico007 closed 1 year ago

daico007 commented 1 year ago

Address #1126, update check and handle hoomd 4 dihedral.

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 50.00% and project coverage change: -0.05 :warning:

Comparison is base (7eb74c6) 87.16% compared to head (38e63c5) 87.12%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #1128 +/- ## ========================================== - Coverage 87.16% 87.12% -0.05% ========================================== Files 62 62 Lines 6445 6448 +3 ========================================== Hits 5618 5618 - Misses 827 830 +3 ``` | [Impacted Files](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1128?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub) | Coverage Δ | | |---|---|---| | [mbuild/formats/hoomd\_forcefield.py](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1128?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub#diff-bWJ1aWxkL2Zvcm1hdHMvaG9vbWRfZm9yY2VmaWVsZC5weQ==) | `77.17% <0.00%> (-1.28%)` | :arrow_down: | | [mbuild/formats/hoomd\_snapshot.py](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1128?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub#diff-bWJ1aWxkL2Zvcm1hdHMvaG9vbWRfc25hcHNob3QucHk=) | `76.14% <100.00%> (ø)` | |

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