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Add position restraints for Site #770
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Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## main #770 +/- ##
==========================================
- Coverage 92.82% 92.79% -0.03%
==========================================
Files 66 66
Lines 6845 6859 +14
==========================================
+ Hits 6354 6365 +11
- Misses 491 494 +3 ☔ View full report in Codecov by Sentry. |
I think the tests should go in |
…sition_restraints
…/gmso into add_position_restraints
This PR includes the fix for the current failing CI tests. |
All unit tests has been added. |
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Just remove the duplicate files and it should be good to go!
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Once tests pass, lets merge it.
Add
position_restraints
for site and write it out in GROMACS top writer. Pending unit test.