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Fixes/smirks 9jul#1201

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egonw merged 1 commit intomainfrom
fixes/smirks-9jul
Jul 9, 2025
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Fixes/smirks 9jul#1201
egonw merged 1 commit intomainfrom
fixes/smirks-9jul

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@johnmay johnmay commented Jul 9, 2025

Fixes #1199

…tom MUST appear after DeleteBond of the bond it's involved in. This might defeat some optimisations (where we try to move ops and replace them with larger concepts - i.e. ReplaceAtom) but testing shows it to be acceptable.
@johnmay johnmay force-pushed the fixes/smirks-9jul branch from 4128fc3 to 441ffde Compare July 9, 2025 14:38
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sonarqubecloud bot commented Jul 9, 2025

@egonw egonw merged commit 9953ac7 into main Jul 9, 2025
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@johnmay johnmay deleted the fixes/smirks-9jul branch March 3, 2026 13:52
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Unexpected SMIRKS error

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