FA-12482 / Molecular graph representation / Member archive
Disconnected fragment charges are collapsed into a neutral flag · case 02
Disconnected fragment charges are collapsed into a neutral flag.
Case contract
Input is an ordered list of molecular fragments, each a list of signed atom formal charges. Return per-fragment signed sums preserving order and empty fragments as zero.
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 fixtureThis sample comes from the broken implementation of a controlled reproducer.
| Boundary fixture | Actual | Expected | Outcome |
|---|---|---|---|
| salt fragments | [0] | [2, -2] | Failed |
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