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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

documentation top #164

Closed MTLehner closed 2 years ago

MTLehner commented 2 years ago

finally added documentation to all top creation/modification functions

MTLehner commented 2 years ago

small PR to main to complete a long time TODO to document all the helper functions in the top class. Especially the functions with similar signature but different functions

codecov[bot] commented 2 years ago

Codecov Report

Merging #164 (88acd0a) into main (73e594e) will not change coverage. The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##             main     #164   +/-   ##
=======================================
  Coverage   51.85%   51.85%           
=======================================
  Files          86       86           
  Lines       10619    10619           
=======================================
  Hits         5506     5506           
  Misses       5113     5113
Flag Coverage Δ
unittests 51.85% <ø> (ø)

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Impacted Files Coverage Δ
pygromos/files/topology/top.py 47.82% <ø> (ø)

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