rinikerlab / PyGromosTools

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
https://rinikerlab.github.io/PyGromosTools/
MIT License
16 stars 14 forks source link

pep8 #236

Closed MTLehner closed 2 years ago

MTLehner commented 2 years ago

Description

This PR fixes code style to follow pep8 standards

lgtm-com[bot] commented 2 years ago

This pull request fixes 122 alerts when merging 8f18700cb972bc1390791198aac59ec41aeb3873 into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 122 alerts when merging 2f4ea2f530d859dea6c8b848e32d7065e68902a1 into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

codecov[bot] commented 2 years ago

Codecov Report

Merging #236 (477d45d) into release3 (017c7a0) will increase coverage by 0.05%. The diff coverage is 45.70%.

Impacted file tree graph

@@             Coverage Diff              @@
##           release3     #236      +/-   ##
============================================
+ Coverage     54.68%   54.74%   +0.05%     
============================================
  Files            91       91              
  Lines         13859    13845      -14     
============================================
  Hits           7579     7579              
+ Misses         6280     6266      -14     
Flag Coverage Δ
unittests 54.74% <45.70%> (+0.05%) :arrow_up:

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

Impacted Files Coverage Δ
pygromos/data/ff/addAtomType.py 0.00% <0.00%> (ø)
pygromos/files/blocks/miscBlocks.py 90.00% <ø> (-0.17%) :arrow_down:
pygromos/files/coord/posres.py 65.21% <ø> (-6.22%) :arrow_down:
pygromos/files/gromos_system/ff/amber2gromos.py 15.96% <ø> (-0.71%) :arrow_down:
...gromos/files/gromos_system/ff/solvents/Solvents.py 0.00% <0.00%> (ø)
pygromos/files/gromos_system/ff/solvents/_base.py 0.00% <0.00%> (ø)
pygromos/files/otherfiles/new_repdat.py 0.00% <0.00%> (ø)
pygromos/files/otherfiles/noe_output.py 0.00% <0.00%> (ø)
pygromos/files/otherfiles/repdat.py 42.19% <0.00%> (ø)
pygromos/files/topology/disres.py 100.00% <ø> (ø)
... and 49 more

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lgtm-com[bot] commented 2 years ago

This pull request fixes 123 alerts when merging 01997e57ae110d68e2d381bb358572acf510cddd into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 123 alerts when merging f586e6457c5ba523927627a866e2be25f32a4914 into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 123 alerts when merging 6c0d16d95f4044115e0dd31929baa525f825ef56 into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 123 alerts when merging b8510e3b084f5ba026d1ed3f53c61d8899223c37 into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 124 alerts when merging 13f0c164b631ff1dd1d0965ee9cf1f52756c6a0b into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 124 alerts when merging 5d01b7bfc63740d6ef65b30a9861cdb6230ebec5 into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts:

lgtm-com[bot] commented 2 years ago

This pull request fixes 124 alerts when merging 477d45dd04dfac5ceb948c15e840bafc6aa948ef into 017c7a038be8ab39d4375d87359e145658a695e2 - view on LGTM.com

fixed alerts: