Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Move parse_command_line_arguments to util.py #1717

Merged
merged 1 commit into from
Sep 25, 2019
Merged

Move parse_command_line_arguments to util.py #1717

merged 1 commit into from
Sep 25, 2019

Conversation

amarkpayne
Copy link
Member

rmg.py is not installed as a module in the conda binary, so we cannot import this function

Motivation or Problem

Fixes #1716

Description of Changes

Move parse_commnad_line_arguments inside of rmgpy.util where it can be imported for binary installations

@amarkpayne
Copy link
Member Author

This PR can be reviewed, but let's hold off on merging this for now

@codecov
Copy link

codecov bot commented Sep 5, 2019

Codecov Report

Merging #1717 into master will not change coverage.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master    #1717   +/-   ##
=======================================
  Coverage   41.66%   41.66%           
=======================================
  Files         176      176           
  Lines       30215    30215           
  Branches     6256     6256           
=======================================
  Hits        12588    12588           
  Misses      16703    16703           
  Partials      924      924
Impacted Files Coverage Δ
rmgpy/tools/generate_reactions.py 30% <100%> (ø) ⬆️

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 3846fcc...a12dc4e. Read the comment docs.

@codecov
Copy link

codecov bot commented Sep 5, 2019

Codecov Report

Merging #1717 into master will not change coverage.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master    #1717   +/-   ##
=======================================
  Coverage   32.65%   32.65%           
=======================================
  Files          87       87           
  Lines       26158    26158           
  Branches     6874     6874           
=======================================
  Hits         8541     8541           
+ Misses      16656    16645   -11     
- Partials      961      972   +11
Impacted Files Coverage Δ
rmgpy/tools/generate_reactions.py 30% <100%> (ø) ⬆️
rmgpy/data/statmech.py 42.39% <0%> (ø) ⬆️
rmgpy/rmg/pdep.py 12.21% <0%> (ø) ⬆️
rmgpy/reaction.py 0% <0%> (ø) ⬆️
rmgpy/data/kinetics/family.py 48.49% <0%> (ø) ⬆️
rmgpy/yml.py 15.71% <0%> (ø) ⬆️
rmgpy/data/kinetics/database.py 50.73% <0%> (ø) ⬆️
rmgpy/rmg/input.py 34.34% <0%> (ø) ⬆️
rmgpy/molecule/molecule.py 0% <0%> (ø) ⬆️
rmgpy/statmech/ndTorsions.py 59.89% <0%> (ø) ⬆️

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 11146ef...0bef99b. Read the comment docs.

@xiaoruiDong
Copy link
Contributor

Hi @amarkpayne. I am sorry that I just see this PR. I will have a quick review by today, and please let me know when it is okay to be merged. Thanks!

Copy link
Contributor

@xiaoruiDong xiaoruiDong left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@amarkpayne Thanks for the contribution. There is only one minor comment.

@@ -42,6 +42,7 @@
from rmgpy.data.base import ForbiddenStructures

from rmg import *
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Do we still need 'from rmg import *?After changing,main()is the only function imported and is not used inrmgTest.py`

rmg.py is not installed as a module in the conda binary, so we cannot import this function
Copy link
Contributor

@mliu49 mliu49 left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I think this looks good. Once it's merged, I think you can cherry-pick it to the v2.5.0 branch as well.

@mliu49 mliu49 merged commit dcbab04 into master Sep 25, 2019
@mliu49 mliu49 deleted the move_parser branch September 25, 2019 18:57
@mliu49 mliu49 mentioned this pull request Dec 16, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

Successfully merging this pull request may close these issues.

generateReactions.py script
3 participants