FA-12455 / Molecular graph representation / Member archive

Dative donor and acceptor swap during canonicalization · case 05

Dative donor and acceptor swap during canonicalization.

Member previewVariant 5 · 3 implementations · 6 checks per implementation

Case contract

Return [kind,a,b]; kind dative preserves donor a and acceptor b, kind covalent sorts numeric endpoint IDs.

Why this case matters

Controlled molecular graph interchange model; tests isolate atom or bond representation errors without claiming chemical validity or production toolkit equivalence.

One recorded failure

Sample boundary fixture

This sample comes from the broken implementation of a controlled reproducer.

Boundary fixture	Actual	Expected	Outcome
reverse dative	`["dative", 5, 7]`	`["dative", 7, 5]`	Failed

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This record includes three runnable implementations, regression fixtures, execution results, and source hashes.

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