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pr-omethe-us / PyKED

Python interface to the ChemKED database format
https://pr-omethe-us.github.io/PyKED/
BSD 3-Clause "New" or "Revised" License
15 stars 15 forks source link

Adds XML converters #66

Closed kyleniemeyer closed 7 years ago

kyleniemeyer commented 7 years ago

Changes proposed in this pull request:

@pr-omethe-us/chemked

codecov[bot] commented 7 years ago

Codecov Report

Merging #66 into master will not change coverage. The diff coverage is 100%.

Impacted file tree graph

@@          Coverage Diff           @@
##           master    #66    +/-   ##
======================================
  Coverage     100%   100%            
======================================
  Files           4      5     +1     
  Lines         375    859   +484     
  Branches      101    206   +105     
======================================
+ Hits          375    859   +484
Impacted Files Coverage Δ
pyked/converters.py 100% <100%> (ø)
pyked/chemked.py 100% <100%> (ø) :arrow_up:

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kyleniemeyer commented 7 years ago

There are currently two XML testfiles, but no actual tests to check the converter.

kyleniemeyer commented 7 years ago

Wahoo! Coverage back to 100%

kyleniemeyer commented 7 years ago

And, with a ChemKED class method to convert to ReSpecTh, that is also available via the command line script

kyleniemeyer commented 7 years ago

OK, now this should have everything: 100% coverage, CHANGELOG updated, and added a brief example on conversation to the docs.

kyleniemeyer commented 7 years ago

🙌

(This one took a while...)