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uppittu11 / analysis

Analysis scripts for molecular dynamics simulations of stratum corneum lipid multilayers.
MIT License
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Read molecules from disk #40

Closed uppittu11 closed 4 years ago

uppittu11 commented 4 years ago

With this PR, you can load molecules from JSON files from a directory (library). This way you can easily create your own custom elements and save them to a file and reload later.

codecov[bot] commented 4 years ago

Codecov Report

Merging #40 into master will increase coverage by 5.24%. The diff coverage is 100%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #40      +/-   ##
==========================================
+ Coverage   27.84%   33.09%   +5.24%     
==========================================
  Files          13       14       +1     
  Lines         395      420      +25     
==========================================
+ Hits          110      139      +29     
+ Misses        285      281       -4
Impacted Files Coverage Δ
analysis/tests/test_molecules.py 100% <100%> (ø)
analysis/molecules/molecules.py 100% <100%> (ø)
analysis/tests/conf_test.py 50% <100%> (ø)
analysis/load.py 11.71% <100%> (ø) :arrow_up:
analysis/height.py 21.87% <100%> (ø) :arrow_up:
analysis/tests/test_angles.py 100% <100%> (ø) :arrow_up:
uppittu11 commented 4 years ago

39