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orbeckst
commented
Apr 10, 2026
orbeckst
commented
- gOpenMol parser now captures its TypeError and raises ValueError if the header cannot be read; this makes it consistent with the other parsers
- removed XFAILs from tests that check failure behavior for incorrectly specified file_format for Grid/Grid.load()
- update CHANGELOG
- update docs for Grid.load()
- gOpenMol parser now captures its TypeError and raises ValueError if the header cannot be read; this makes it consistent with the other parsers - removed XFAILs from tests that check failure behavior for incorrectly specified file_format for Grid/Grid.load() - update CHANGELOG - update docs for Grid.load()
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## master #165 +/- ##
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+ Coverage 88.20% 88.90% +0.69%
==========================================
Files 5 5
Lines 814 820 +6
Branches 107 107
==========================================
+ Hits 718 729 +11
+ Misses 56 54 -2
+ Partials 40 37 -3 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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- add match testing for many Grid exceptions - specifically catch TypeError for gOpenMol instead of all Exceptions - fixed minor space typo in exception message
Member
Author
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Thanks for the comments @BradyAJohnston . I addressed them at least partially (see explanation in comments). Btw, don't hesitate to leave a "request changes", please. |
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