{"abstract":"Reaction atom map labels contaminate structural keys.","category":"Molecular graph representation","checks":6,"contract":"Return [element,isotope,charge] from an atom record; map is a reaction correspondence label and is excluded. Isotope and formal charge remain exact.","contract_signature":"atom","evaluation_group":"model-9174272db656f722","failed_approach":"Dropping all annotations also drops charge and isotope identity fields.","family":"z-chemical_graphs-atom-map-identity","id":"FA-12471","implementations":{"attempt":{"sha256":"d9f5102dec7cdade520aef016ec80becef1e953c0a8d5c0a71c13b8c421ac5c1","source":"\"\"\"Failure Map reference implementation. Python standard library only.\"\"\"\nimport json\n\nN = 1\nobservations = []\ndef solve(atom):\n    return [atom[\"element\"],None,0]\ndef check(label, actual, expected):\n    observations.append({\"check\": label, \"actual\": actual, \"expected\": expected, \"passed\": actual == expected})\ncheck('mapped ion', solve(dict(element='N',isotope=None,charge=1,map=N)), ['N',None,1])\ncheck('isotope', solve(dict(element='C',isotope=12+N,charge=0,map=0)), ['C',12+N,0])\ncheck('neutral', solve(dict(element='C',isotope=None,charge=0,map=N)), ['C',None,0])\ncheck('negative', solve(dict(element='O',isotope=None,charge=-1,map=N)), ['O',None,-1])\ncheck('unmapped', solve(dict(element='H',isotope=2,charge=0,map=None)), ['H',2,0])\ncheck('both fields', solve(dict(element='X',isotope=N,charge=-2,map=N+9)), ['X',N,-2])\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":"35b93757077cb41dbd166b911f1ed7363b12d8c12869cf715449ad2c308262ca","source":"\"\"\"Failure Map reference implementation. Python standard library only.\"\"\"\nimport json\n\nN = 1\nobservations = []\ndef solve(atom):\n    return [atom[\"element\"],atom[\"isotope\"],atom[\"charge\"],atom[\"map\"]]\ndef check(label, actual, expected):\n    observations.append({\"check\": label, \"actual\": actual, \"expected\": expected, \"passed\": actual == expected})\ncheck('mapped ion', solve(dict(element='N',isotope=None,charge=1,map=N)), ['N',None,1])\ncheck('isotope', solve(dict(element='C',isotope=12+N,charge=0,map=0)), ['C',12+N,0])\ncheck('neutral', solve(dict(element='C',isotope=None,charge=0,map=N)), ['C',None,0])\ncheck('negative', solve(dict(element='O',isotope=None,charge=-1,map=N)), ['O',None,-1])\ncheck('unmapped', solve(dict(element='H',isotope=2,charge=0,map=None)), ['H',2,0])\ncheck('both fields', solve(dict(element='X',isotope=N,charge=-2,map=N+9)), ['X',N,-2])\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-atom-map-identity","generated_at":"2026-09-29T14:38:57.232778+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.","root_cause":"Mapping correspondence metadata is included in an atom structural key.","sha256":"b5c288712a042841cea3edccd40c0c6c15b470e6181f2c368bd8979cecfb01ee","title":"Reaction atom map labels contaminate structural keys · case 01","variant":1,"variant_policy":"Five numbered records share a model and may reuse boundary fixtures.","verified":true,"visibility":"public","verification":{"attempt":{"elapsed_ms":41.861,"exit_code":1,"observations":[{"actual":["N",null,0],"check":"mapped ion","expected":["N",null,1],"passed":false},{"actual":["C",null,0],"check":"isotope","expected":["C",13,0],"passed":false},{"actual":["C",null,0],"check":"neutral","expected":["C",null,0],"passed":true},{"actual":["O",null,0],"check":"negative","expected":["O",null,-1],"passed":false},{"actual":["H",null,0],"check":"unmapped","expected":["H",2,0],"passed":false},{"actual":["X",null,0],"check":"both fields","expected":["X",1,-2],"passed":false}],"passed":false,"stderr":"","stdout":"{\"observations\": [{\"check\": \"mapped ion\", \"actual\": [\"N\", null, 0], \"expected\": [\"N\", null, 1], \"passed\": false}, {\"check\": \"isotope\", \"actual\": [\"C\", null, 0], \"expected\": [\"C\", 13, 0], \"passed\": false}, {\"check\": \"neutral\", \"actual\": [\"C\", null, 0], \"expected\": [\"C\", null, 0], \"passed\": true}, {\"check\": \"negative\", \"actual\": [\"O\", null, 0], \"expected\": [\"O\", null, -1], \"passed\": false}, {\"check\": \"unmapped\", \"actual\": [\"H\", null, 0], \"expected\": [\"H\", 2, 0], \"passed\": false}, {\"check\": \"both fields\", \"actual\": [\"X\", null, 0], \"expected\": [\"X\", 1, -2], \"passed\": false}], \"passed\": false}\n"},"broken":{"elapsed_ms":41.251,"exit_code":1,"observations":[{"actual":["N",null,1,1],"check":"mapped ion","expected":["N",null,1],"passed":false},{"actual":["C",13,0,0],"check":"isotope","expected":["C",13,0],"passed":false},{"actual":["C",null,0,1],"check":"neutral","expected":["C",null,0],"passed":false},{"actual":["O",null,-1,1],"check":"negative","expected":["O",null,-1],"passed":false},{"actual":["H",2,0,null],"check":"unmapped","expected":["H",2,0],"passed":false},{"actual":["X",1,-2,10],"check":"both fields","expected":["X",1,-2],"passed":false}],"passed":false,"stderr":"","stdout":"{\"observations\": [{\"check\": \"mapped ion\", \"actual\": [\"N\", null, 1, 1], \"expected\": [\"N\", null, 1], \"passed\": false}, {\"check\": \"isotope\", \"actual\": [\"C\", 13, 0, 0], \"expected\": [\"C\", 13, 0], \"passed\": false}, {\"check\": \"neutral\", \"actual\": [\"C\", null, 0, 1], \"expected\": [\"C\", null, 0], \"passed\": false}, {\"check\": \"negative\", \"actual\": [\"O\", null, -1, 1], \"expected\": [\"O\", null, -1], \"passed\": false}, {\"check\": \"unmapped\", \"actual\": [\"H\", 2, 0, null], \"expected\": [\"H\", 2, 0], \"passed\": false}, {\"check\": \"both fields\", \"actual\": [\"X\", 1, -2, 10], \"expected\": [\"X\", 1, -2], \"passed\": false}], \"passed\": false}\n"}},"member_only":{"stages":["fixed"],"fields":["implementations.fixed","verification.fixed","harness","repair"],"note":"The verified repair, its recorded checks, the repair description, and the scoring harness are available to members."}}