nontetrahedral SmallMoleculeComponent #202
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make importing non-tetrahedral stereo optional this will mean that SMC that contain non-tetrahedral stereochemistry cannot be reloaded in an old rdkit version this is seen as unlikely and less annoying than imposing a pin on the rdkit version
richardjgowers
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Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## main #202 +/- ##
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Coverage 99.09% 99.09%
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Files 36 36
Lines 1760 1762 +2
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+ Hits 1744 1746 +2
Misses 16 16
☔ View full report in Codecov by Sentry. |
dwhswenson
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Jun 8, 2023
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I believe @richardjgowers promised $$$ to me and @mikemhenry if our concerns about how this affects serialization hits us in the wild....
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fixes issue #201
make importing non-tetrahedral stereo optional
this will mean that SMC that contain non-tetrahedral stereochemistry cannot be reloaded in an old rdkit version
this is seen as unlikely and less annoying than imposing a pin on the rdkit version