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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

Update comments for Gromos_System class #295

Closed LaurianeJD closed 1 year ago

LaurianeJD commented 2 years ago

Description

The comment describing the forcefield parameter of the Gromos_System class in pygromos/files/gromos_system/gromos_system.py corresponded to the last version, I updated it (name of the parameter, its class, its default value).

codecov[bot] commented 2 years ago

Codecov Report

Merging #295 (ec7ac5d) into main (a21ab63) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##             main     #295   +/-   ##
=======================================
  Coverage   54.38%   54.38%           
=======================================
  Files          93       93           
  Lines       14355    14355           
=======================================
  Hits         7807     7807           
  Misses       6548     6548
Flag Coverage Δ
unittests 54.38% <ø> (ø)

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Impacted Files Coverage Δ
pygromos/files/gromos_system/gromos_system.py 68.97% <ø> (ø)

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pultar commented 1 year ago

Something went wrong with the commit. I close this PR and refer to #294 which now includes the relevant change.