mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields

https://foyer.mosdef.org

MIT License

120 stars 78 forks source link

Add TopologyGraph conversions from OpenFF and GMSO Topologies for atomtyping #399

Closed umesh-timalsina closed 3 years ago

umesh-timalsina commented 3 years ago

Closes #396.

codecov[bot] commented 3 years ago

Codecov Report

Merging #399 (039345c) into master (883e0a0) will increase coverage by 0.27%. The diff coverage is 82.35%.

@@            Coverage Diff             @@
##           master     #399      +/-   ##
==========================================
+ Coverage   71.24%   71.51%   +0.27%     
==========================================
  Files          16       16              
  Lines        1516     1548      +32     
==========================================
+ Hits         1080     1107      +27     
- Misses        436      441       +5

umesh-timalsina commented 3 years ago

/azp run

azure-pipelines[bot] commented 3 years ago

Azure Pipelines successfully started running 1 pipeline(s).