BugFix: Empty list as val in RMGObject.as_dict() and .make_object() #1540
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Codecov Report
@@ Coverage Diff @@
## master #1540 +/- ##
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Coverage 42.02% 42.02%
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Files 165 165
Lines 27867 27867
Branches 5680 5680
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Hits 11711 11711
Misses 15371 15371
Partials 785 785Continue to review full report at Codecov.
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mliu49
requested changes
Jan 24, 2019
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I added a new test module for RMG object. One of the tests is actually failing, which I'm glad was caught. If the value is a numpy array, then directly checking the truth value is ambiguous and raises an exception. |
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Great catch! Thanks for adding this test |
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The fix looks good! You can go ahead and squash. |
Don't bother dumping and parsing empty objects (usually an empty list)
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done! |
mliu49
approved these changes
Jan 25, 2019
5 tasks
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Motivation or Problem
When RMGObject encounters an empty list, it cannot index it (e.g., call
val[0]). This occures when running atomic species where the frequencies are just an empty list[].Description of Changes
We shouldn't bother dumping and parsing empty lists, they will get their default values when loading the object.
Testing
Files for testing (for carbon atom) are attached
C_arkane_input.txt
input.txt
sp.txt
Reviewer Tips
After successfully generating a YAML file for C, try feeding that YAML file back to Arkane to see that it reads it correctly.