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Update the connectivity checker to either respect/ignore (default) va…#1258

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egonw merged 1 commit intomainfrom
connectivity-checker-improvements
Feb 28, 2026
Merged

Update the connectivity checker to either respect/ignore (default) va…#1258
egonw merged 1 commit intomainfrom
connectivity-checker-improvements

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@johnmay
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@johnmay johnmay commented Feb 28, 2026

…r/multi attach bonds and explicit component grouping.

The default behaviour is unchanged and returns connected component in the strict graph-theoretic sense but we now have the option to a more chemically meaningful splitting.

No. Strict ComponentsNo. Loose ComponentsSMILES
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I have renamed the "reaction group" property to the more generic "component group" and redirected the old constant

…r/multi attach bonds and explicit component grouping.

The default behaviour is unchanged and returns connected component in the strict graph-theoretic sense but we now have the option to a more chemically meaningful splitting.
@johnmay johnmay force-pushed the connectivity-checker-improvements branch from 7e3846f to 75e7963 Compare February 28, 2026 09:15
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@egonw egonw merged commit 320c780 into main Feb 28, 2026
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@johnmay johnmay deleted the connectivity-checker-improvements branch March 3, 2026 13:49
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