duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
171 stars 52 forks source link

Fix pickling issue of ndarray subclasses so they can be passed from parallel processes #222

Closed shoubhikraj closed 1 year ago

shoubhikraj commented 1 year ago

Overrides the __reduce__ and __setstate__ functions of ndarray in the subclass to include additional instance attributes included in the subclass.

Fixes #221

TODO

t-young31 commented 1 year ago

haha – this is included in https://github.com/duartegroup/autodE/pull/215! see: https://github.com/duartegroup/autodE/blob/37c67f4c3f1d0ac4445967ded2aac3bc9584878f/autode/values.py#L620

codecov[bot] commented 1 year ago

Codecov Report

Merging #222 (bb2ad27) into master (ab7c768) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #222   +/-   ##
=======================================
  Coverage   97.00%   97.00%           
=======================================
  Files         195      195           
  Lines       19944    19951    +7     
=======================================
+ Hits        19346    19353    +7     
  Misses        598      598           
Flag Coverage Δ
unittests 97.00% <100.00%> (+<0.01%) :arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
autode/values.py 99.63% <100.00%> (+<0.01%) :arrow_up:

Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here.

shoubhikraj commented 1 year ago

@t-young31 Ahh I guess I missed that. Closing this.