FA-12479 / Molecular graph representation / Member archive

Bond reversal leaves endpoint-specific stereo ligands attached to wrong atoms · case 04

Bond reversal leaves endpoint-specific stereo ligands attached to wrong atoms.

Member previewVariant 4 · 3 implementations · 6 checks per implementation

Case contract

A double bond record [a,b,left_ligand,right_ligand] uses endpoint-relative ligand anchors. Canonicalize a<=b, swapping ligand anchor slots if and only if endpoints reverse.

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 anchors	`[4, 5, 34, 44]`	`[4, 5, 44, 34]`	Failed

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

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