RMG-Py
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Minor: Update group attribute name to py3
Motivation or Problem
- hasWildCards should be has_wildcards
- standardize_atomtype() function throws attribute error because Group() doesn't have has_wildcards attribute. It really should be a checking done on the atoms.
Description of Changes
- Changed from hasWildCards to has_wildcards
- Add a for loop to loop through self.atoms and changed self.has_wildcards to atom.has_wildcards.
Codecov Report
Merging #1979 (295db47) into main (c68ba9a) will decrease coverage by
0.01%. The diff coverage isn/a.
:exclamation: Current head 295db47 differs from pull request most recent head 2b66c31. Consider uploading reports for the commit 2b66c31 to get more accurate results
@@ Coverage Diff @@
## main #1979 +/- ##
==========================================
- Coverage 48.25% 48.25% -0.01%
==========================================
Files 110 110
Lines 30616 30737 +121
Branches 7982 8062 +80
==========================================
+ Hits 14774 14831 +57
- Misses 14298 14344 +46
- Partials 1544 1562 +18
| Impacted Files | Coverage Δ | |
|---|---|---|
| arkane/kinetics.py | 12.24% <0.00%> (ø) |
|
| rmgpy/rmg/reactors.py | 26.99% <0.00%> (+6.00%) |
:arrow_up: |
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This is fine but the changes order doesn't make much sense. Can you split the creation of the has_wildcards function into one commit and the naming/calling changes in to a second commit?
Thanks for the review! Commits updated!
Can you rebase?
Can you rebase?
Rebased!
Sorry, can you rebase again?
Sorry, can you rebase again?
@mjohnson541 Rebased!
Rebased again!
@kspieks Thanks for the review! The unit test is just added!
@hwpang can you please rebase? I'll merge immediately since all tests have already passed