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Add special species for adapters testing #305

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merged 1 commit into from Jun 11, 2020
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Fixes #304

Add a structure with a species that only has chemical_symbols=["X"].
Update ASE conversion to handle this scenario as well as update AiiDA testing of this scenario.

Add a structure with a species that only has chemical_symbols=["X"].
Update ASE conversion to handle this scenario as well as update AiiDA
testing of this scenario.
@CasperWA CasperWA requested review from ml-evs and shyamd June 10, 2020 23:38
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codecov bot commented Jun 10, 2020

Codecov Report

Merging #305 into master will increase coverage by 0.00%.
The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #305   +/-   ##
=======================================
  Coverage   90.03%   90.04%           
=======================================
  Files          54       54           
  Lines        2268     2270    +2     
=======================================
+ Hits         2042     2044    +2     
  Misses        226      226           
Flag Coverage Δ
#unittests 90.04% <100.00%> (+<0.01%) ⬆️
Impacted Files Coverage Δ
optimade/adapters/structures/ase.py 100.00% <100.00%> (ø)

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Looks sensible to me!

@CasperWA CasperWA merged commit e1cac1e into master Jun 11, 2020
@CasperWA CasperWA deleted the fix_304_special-species-X branch June 11, 2020 11:06
CasperWA added a commit to knc6/optimade-python-tools that referenced this pull request Jun 11, 2020
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Special species "X" not tested for non-disordered structures
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