uppittu11 / analysis

Analysis scripts for molecular dynamics simulations of stratum corneum lipid multilayers.
MIT License
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Convert molecule to a class #41

Closed uppittu11 closed 4 years ago

uppittu11 commented 4 years ago

Created molecules class that can be loaded and loaded and saved to JSON files. Also propagated these changes to modules that use `Molecules.

codecov[bot] commented 4 years ago

Codecov Report

Merging #41 into master will increase coverage by 12.83%. The diff coverage is 91.33%.

Impacted file tree graph

@@             Coverage Diff             @@
##           master      #41       +/-   ##
===========================================
+ Coverage   33.09%   45.92%   +12.83%     
===========================================
  Files          14       14               
  Lines         420      540      +120     
===========================================
+ Hits          139      248      +109     
- Misses        281      292       +11
Impacted Files Coverage Δ
analysis/tests/conf_test.py 50% <ø> (ø) :arrow_up:
analysis/tests/test_molecules.py 100% <100%> (ø) :arrow_up:
analysis/molecules/molecules.py 89.9% <88.42%> (-10.1%) :arrow_down: