cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
GNU General Public License v3.0
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Add PPS molecule #76

Closed chrisjonesBSU closed 2 years ago

chrisjonesBSU commented 2 years ago

This PR adds the poly-phenylene-sulfide (PPS) molecule to the compound library. It also removes the meta congirations for PEEK, which now we believe isn't applicable after talking more with USM. PPS also doesn't require a meta configuration, so the para/meta weight is now only supported for PEKK.

Addresses #52

codecov[bot] commented 2 years ago

Codecov Report

Merging #76 (9dee88d) into master (867053c) will decrease coverage by 0.39%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #76      +/-   ##
==========================================
- Coverage   91.46%   91.07%   -0.40%     
==========================================
  Files           7        7              
  Lines         668      672       +4     
==========================================
+ Hits          611      612       +1     
- Misses         57       60       +3     
Impacted Files Coverage Δ
polybinder/system.py 91.52% <100.00%> (-0.77%) :arrow_down: