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orbeckst
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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 +/- ##
==========================================
+ 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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| # quick and dirty... slurp it all in one go | ||
| datafmt = h['bsaflag'] + str(nentries) + self._data_bintype | ||
| a = numpy.array(unpack(datafmt, plt.read(calcsize(datafmt)))) | ||
| except Exception as err: |
Member
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Do we want this to be more specific with the exceptions it catches?
| def test_load_wrong_fileformat(self, data, pklfile, fileformat): | ||
| with pytest.raises('ValueError'): | ||
| def test_load_wrong_fileformat_raises_ValueError(self, pklfile, fileformat): | ||
| with pytest.raises(ValueError): |
Member
There was a problem hiding this comment.
maybe add a match= to be more specific?
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