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Allow generate_reactions.py script to accept number of processors #1780

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merged 1 commit into from
Oct 23, 2019

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@kspieks kspieks commented Oct 22, 2019

Motivation or Problem

This pull request resolves #1779

Description of Changes

'maxproc': args.maxproc, was added as an entry to the kwargs dictionary in generate_reactions.py

Testing

"python ~/RMG-Py/scripts/generateReactions.py -n 1 input.py" will print the expected "For reaction generation, 1 process is used" from react.py
"python ~/RMG-Py/scripts/generateReactions.py -n 2 input.py" will now print the expected "For reaction generation, 2 processes are used" from react.py
Activity monitor confirms that 2 processes are being used and indeed the run time is faster

Reviewer Tips

All feedback and suggestions are welcome :)

@kspieks kspieks requested review from mliu49 and ajocher October 22, 2019 17:38
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codecov bot commented Oct 22, 2019

Codecov Report

Merging #1780 into master will not change coverage.
The diff coverage is n/a.

Impacted file tree graph

@@          Coverage Diff           @@
##           master   #1780   +/-   ##
======================================
  Coverage    32.6%   32.6%           
======================================
  Files          87      87           
  Lines       26116   26116           
  Branches     6875    6875           
======================================
  Hits         8516    8516           
  Misses      16630   16630           
  Partials      970     970
Impacted Files Coverage Δ
rmgpy/tools/generate_reactions.py 30% <ø> (ø) ⬆️

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Thanks for adding this!

@mliu49 mliu49 merged commit 7147277 into master Oct 23, 2019
@mliu49 mliu49 deleted the fix_parallel_generate_reactions_script branch October 23, 2019 13:47
@mliu49 mliu49 mentioned this pull request Dec 16, 2019
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generate_reactions.py script does not accept multiprocessing command line argument
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