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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

fix lgtm #257

Closed MTLehner closed 2 years ago

MTLehner commented 2 years ago

Description

fix lgtm

Status

codecov[bot] commented 2 years ago

Codecov Report

Merging #257 (36a4715) into main (96f7732) will decrease coverage by 0.03%. The diff coverage is n/a.

@@            Coverage Diff             @@
##             main     #257      +/-   ##
==========================================
- Coverage   54.17%   54.14%   -0.04%     
==========================================
  Files          93       93              
  Lines       14284    14284              
==========================================
- Hits         7739     7734       -5     
- Misses       6545     6550       +5
Flag Coverage Δ
unittests 54.14% <ø> (-0.04%) :arrow_down:

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Impacted Files Coverage Δ
pygromos/files/blocks/mtb_blocks.py 86.44% <0.00%> (-0.48%) :arrow_down:
pygromos/analysis/free_energy_calculation.py 66.82% <0.00%> (-0.47%) :arrow_down:

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