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Patch/ambig stereo #826

Merged
merged 2 commits into from Feb 8, 2022
Merged

Patch/ambig stereo #826

merged 2 commits into from Feb 8, 2022

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johnmay
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@johnmay johnmay commented Feb 7, 2022

More robust stereochemistry handling options. Fixes #641. I can't remember what originally prompted me to open that issue.

…hatch idioms. We could be even stricter ala-InChI but basic determinant calculations sort most of the obvious cases out.
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sonarcloud bot commented Feb 7, 2022

Kudos, SonarCloud Quality Gate passed!    Quality Gate passed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 4 Code Smells

0.0% 0.0% Coverage
0.0% 0.0% Duplication

@egonw egonw merged commit 4a4ab1a into master Feb 8, 2022
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egonw commented Feb 8, 2022

Looks good to me.

@johnmay johnmay deleted the patch/ambig-stereo branch February 9, 2022 15:02
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Warn when stereochemistry is ambiguous.
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