cmelab / planckton

Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.

GNU General Public License v3.0

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Fix hydrogen removal #74

Closed jennyfothergill closed 3 years ago

jennyfothergill commented 3 years ago

Hydrogen removal wasn't working for our pre-typed systems. This PR fixes that and adds a better test that H atoms are removed correctly.

codecov[bot] commented 3 years ago

Codecov Report

Merging #74 (282b8d1) into master (9c5ce3b) will not change coverage. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master      #74   +/-   ##
=======================================
  Coverage   98.43%   98.43%           
=======================================
  Files           6        6           
  Lines         192      192           
=======================================
  Hits          189      189           
  Misses          3        3

Impacted Files	Coverage Δ
planckton/init.py	`100.00% <100.00%> (ø)`