{"abstract":"Neighbor count replaces encoded bond order.","category":"Molecular graph representation","checks":6,"contract":"For an atom ID, sum integer orders 1..3 of incident undirected bonds [a,b,order]; unique endpoints and no self bonds. This is an order sum, not inferred valence.","evaluation_group":"model-92d19a6f5bf56e84","failed_approach":"Clamping orders to two loses triple bond contributions.","family":"z-chemical_graphs-bond-multiplicity","id":"FA-12446","implementations":{"attempt":{"sha256":"3d9e55cccbcd75a30192eafee7a52f0eaf88ba8e63f08a0f63e575825847ee8c","source":"\"\"\"Failure Map reference implementation. Python standard library only.\"\"\"\nimport json\n\nN = 1\nobservations = []\ndef solve(atom, bonds):\n    return sum(min(order,2) for a,b,order in bonds if atom in (a,b))\ndef check(label, actual, expected):\n    observations.append({\"check\": label, \"actual\": actual, \"expected\": expected, \"passed\": actual == expected})\ncheck('double', solve(N, [[N,N+1,2]]), 2)\ncheck('triple', solve(N, [[N,N+1,3]]), 3)\ncheck('single', solve(N, [[N,N+1,1]]), 1)\ncheck('isolated', solve(N, []), 0)\ncheck('mixed', solve(N, [[N,N+1,3],[N+2,N,1]]), 4)\ncheck('unrelated', solve(N, [[N+1,N+2,2]]), 0)\nprint(json.dumps({\"observations\": observations, \"passed\": all(x[\"passed\"] for x in observations)}, ensure_ascii=False))\nraise SystemExit(0 if all(x[\"passed\"] for x in observations) else 1)\n"},"broken":{"sha256":"c92cc1d24346ee469ed2c77459a7b5f386750541b47feea7fea2d43949da9eac","source":"\"\"\"Failure Map reference implementation. Python standard library only.\"\"\"\nimport json\n\nN = 1\nobservations = []\ndef solve(atom, bonds):\n    return sum(atom in b[:2] for b in bonds)\ndef check(label, actual, expected):\n    observations.append({\"check\": label, \"actual\": actual, \"expected\": expected, \"passed\": actual == expected})\ncheck('double', solve(N, [[N,N+1,2]]), 2)\ncheck('triple', solve(N, [[N,N+1,3]]), 3)\ncheck('single', solve(N, [[N,N+1,1]]), 1)\ncheck('isolated', solve(N, []), 0)\ncheck('mixed', solve(N, [[N,N+1,3],[N+2,N,1]]), 4)\ncheck('unrelated', solve(N, [[N+1,N+2,2]]), 0)\nprint(json.dumps({\"observations\": observations, \"passed\": all(x[\"passed\"] for x in observations)}, ensure_ascii=False))\nraise SystemExit(0 if all(x[\"passed\"] for x in observations) else 1)\n"},"fixed":{"sha256":"296067cf87cec6d52939b33289025b2e7db973effaabd87d055299087323f5a9","source":"\"\"\"Failure Map reference implementation. Python standard library only.\"\"\"\nimport json\n\nN = 1\nobservations = []\ndef solve(atom, bonds):\n    return sum(order for a,b,order in bonds if atom in (a,b))\ndef check(label, actual, expected):\n    observations.append({\"check\": label, \"actual\": actual, \"expected\": expected, \"passed\": actual == expected})\ncheck('double', solve(N, [[N,N+1,2]]), 2)\ncheck('triple', solve(N, [[N,N+1,3]]), 3)\ncheck('single', solve(N, [[N,N+1,1]]), 1)\ncheck('isolated', solve(N, []), 0)\ncheck('mixed', solve(N, [[N,N+1,3],[N+2,N,1]]), 4)\ncheck('unrelated', solve(N, [[N+1,N+2,2]]), 0)\nprint(json.dumps({\"observations\": observations, \"passed\": all(x[\"passed\"] for x in observations)}, ensure_ascii=False))\nraise SystemExit(0 if all(x[\"passed\"] for x in observations) else 1)\n"}},"limitations":"Toy representation only; no valence inference, chemical sanitization, synthesis, or real molecular identity determination. This reproducer isolates one failure mechanism. Results cover the supplied fixtures. Variants within a family share a test contract and should remain grouped when constructing evaluation splits. Related mechanisms with a shared evaluation_group must also remain together; these controlled models are not independent production incidents.","method":"Deterministic executable model with adversarial boundary fixtures.","provenance":{"created_by":"Failure Map","dependencies":"Python standard library","family":"z-chemical_graphs-bond-multiplicity","generated_at":"2026-09-29T14:38:56.853969+00:00","license":"CC0-1.0","python":"3.12.14","seed":1,"split":"open-access"},"relevance":"Controlled molecular graph interchange model; tests isolate atom or bond representation errors without claiming chemical validity or production toolkit equivalence.","repair":"Implement the explicit toy representation contract: For an atom ID, sum integer orders 1..3 of incident undirected bonds [a,b,order]; unique endpoints and no self bonds. This is an order sum, not inferred valence.","root_cause":"Degree counts bonds rather than their stored order.","sha256":"1aea16b479150d4dbeacd6c2af0505f121d57d55fc0a6801087b63ea333d1f9b","title":"Neighbor count replaces encoded bond order · case 01","variant":1,"variant_policy":"Five numbered records share a model and may reuse boundary fixtures.","verification":{"attempt":{"elapsed_ms":40.319,"exit_code":1,"observations":[{"actual":2,"check":"double","expected":2,"passed":true},{"actual":2,"check":"triple","expected":3,"passed":false},{"actual":1,"check":"single","expected":1,"passed":true},{"actual":0,"check":"isolated","expected":0,"passed":true},{"actual":3,"check":"mixed","expected":4,"passed":false},{"actual":0,"check":"unrelated","expected":0,"passed":true}],"passed":false,"stderr":"","stdout":"{\"observations\": [{\"check\": \"double\", \"actual\": 2, \"expected\": 2, \"passed\": true}, {\"check\": \"triple\", \"actual\": 2, \"expected\": 3, \"passed\": false}, {\"check\": \"single\", \"actual\": 1, \"expected\": 1, \"passed\": true}, {\"check\": \"isolated\", \"actual\": 0, \"expected\": 0, \"passed\": true}, {\"check\": \"mixed\", \"actual\": 3, \"expected\": 4, \"passed\": false}, {\"check\": \"unrelated\", \"actual\": 0, \"expected\": 0, \"passed\": true}], \"passed\": false}\n"},"broken":{"elapsed_ms":39.937,"exit_code":1,"observations":[{"actual":1,"check":"double","expected":2,"passed":false},{"actual":1,"check":"triple","expected":3,"passed":false},{"actual":1,"check":"single","expected":1,"passed":true},{"actual":0,"check":"isolated","expected":0,"passed":true},{"actual":2,"check":"mixed","expected":4,"passed":false},{"actual":0,"check":"unrelated","expected":0,"passed":true}],"passed":false,"stderr":"","stdout":"{\"observations\": [{\"check\": \"double\", \"actual\": 1, \"expected\": 2, \"passed\": false}, {\"check\": \"triple\", \"actual\": 1, \"expected\": 3, \"passed\": false}, {\"check\": \"single\", \"actual\": 1, \"expected\": 1, \"passed\": true}, {\"check\": \"isolated\", \"actual\": 0, \"expected\": 0, \"passed\": true}, {\"check\": \"mixed\", \"actual\": 2, \"expected\": 4, \"passed\": false}, {\"check\": \"unrelated\", \"actual\": 0, \"expected\": 0, \"passed\": true}], \"passed\": false}\n"},"fixed":{"elapsed_ms":41.852,"exit_code":0,"observations":[{"actual":2,"check":"double","expected":2,"passed":true},{"actual":3,"check":"triple","expected":3,"passed":true},{"actual":1,"check":"single","expected":1,"passed":true},{"actual":0,"check":"isolated","expected":0,"passed":true},{"actual":4,"check":"mixed","expected":4,"passed":true},{"actual":0,"check":"unrelated","expected":0,"passed":true}],"passed":true,"stderr":"","stdout":"{\"observations\": [{\"check\": \"double\", \"actual\": 2, \"expected\": 2, \"passed\": true}, {\"check\": \"triple\", \"actual\": 3, \"expected\": 3, \"passed\": true}, {\"check\": \"single\", \"actual\": 1, \"expected\": 1, \"passed\": true}, {\"check\": \"isolated\", \"actual\": 0, \"expected\": 0, \"passed\": true}, {\"check\": \"mixed\", \"actual\": 4, \"expected\": 4, \"passed\": true}, {\"check\": \"unrelated\", \"actual\": 0, \"expected\": 0, \"passed\": true}], \"passed\": true}\n"}},"verified":true,"visibility":"public"}