General, integer-exact CHEMICAL VALIDITY over an in-memory atom-bond GRAPH { atoms:[{element}], bonds:[{a,b,order}], charges?, sites?
General, integer-exact CHEMICAL VALIDITY over an in-memory atom-bond GRAPH { atoms:[{element}], bonds:[{a,b,order}], charges?, sites? } (0-indexed atoms; bond order in 1, 1.5, 2, 3). Every atom's incident bond orders are summed in half-bond integer units, formal charge applied, and any atom whose valence is not allowed by the cited standard-valence table (C=4, N=3, O=2, H=1, S=2/4/6, P=3/5, halogens=1, B=3) is flagged; a single connected graph is required. It also emits the INTEGER ENERGY PENALTY (flagged atoms + 1 if disconnected) that is the validity term of the molecular-design sampler's energy. NO learned model and NO AI - every rule is cited standard chemistry, exact integer arithmetic, bit-reproducible. HONEST: "valid" means WELL-FORMED under the octet/valence model, NOT that the molecule is real, stable, or synthesizable. No claim is made that the geometric embedding is chemically special (it was benchmarked information-equivalent to Weisfeiler-Leman).
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