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ConjugatedPiSystemsDetector allene handling fix#1211

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johnmay merged 1 commit intocdk:mainfrom
JonasSchaub:ConjugatedPiSystemsDetector-fix
Aug 15, 2025
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ConjugatedPiSystemsDetector allene handling fix#1211
johnmay merged 1 commit intocdk:mainfrom
JonasSchaub:ConjugatedPiSystemsDetector-fix

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@JonasSchaub
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Fixes issue with path-dependent conjugated system detection if allenes are involved, especially if the allene is the first atom.

Closes #1210

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johnmay commented Aug 15, 2025

Looks like the correct fix.

@johnmay johnmay merged commit 441d183 into cdk:main Aug 15, 2025
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@JonasSchaub JonasSchaub deleted the ConjugatedPiSystemsDetector-fix branch August 15, 2025 12:42
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ConjugatedPiSystemsDetector path dependency regarding allenes / cumulative double bonds

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