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Ligand reordering silently flips stored orientation · case 05

Ligand reordering silently flips stored orientation.

Member previewVariant 5 · 3 implementations · 6 checks per implementation

Case contract

Four distinct ligand IDs define a local orientation sign +/-1. Return sign multiplied by permutation parity when old ligand order is changed to new order containing the same 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
one swap	`1`	`-1`	Failed

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

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