Closed chrisjonesBSU closed 1 year ago
This PR updates the gsd.hoomd API changes and fixes the mapping issue described in #52 by doing an additional check back on the mbuild side of things after obtaining the SMARTS-matched mapping from pybel.
Merging #53 (5733145) into main (7549f13) will decrease coverage by 1.66%. Report is 20 commits behind head on main. The diff coverage is 100.00%.
1.66%
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This PR updates the gsd.hoomd API changes and fixes the mapping issue described in #52 by doing an additional check back on the mbuild side of things after obtaining the SMARTS-matched mapping from pybel.