fix(epac): promotion from closed atom, unpaired accounting, subshell ordering - #21
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…ing and ordering - molecular attachment sites now derive from the already-closed element gonol's carried unpaired/promoted valence evidence; no periodic-table relookup at construction time. - promoted unpaired accounting: promote the spin-down valence s electron into the first empty valence p and flip it, so every promoted unpaired electron carries m_s = +1 like the ground convention. - subshell ordering: promoted set is canonical (s before p, p ascending m_l). - regression tests for CH4/CO2 promotion flags, promoted carbon/beryllium, ordinary atoms, and configuration serialization. - sealed-shape prediction remains FALSIFIED (existing comparison gate green). - add epac CI workflow (unittest discovery with libs/ucns on PYTHONPATH).
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EPAC promotion repair (rebuilt from closed #2 concept)
Built from current
main. Keeps sealed-shape prediction FALSIFIED; noshape evidence changes.
Repairs
attachment sites now read the element gonol's carried
unpaired-valence-lm/promoted-unpaired-lmevidence. The periodic-tablerelookup (
atomic_of) is removed from molecular construction.valence s electron into the first empty valence p and flips it to spin-up,
so every promoted unpaired electron carries
m_s = +1, matching the ground_unpaired_valenceconvention.orbitals in ascending
m_l(0:0, 1:-1, 1:0, 1:1for carbon).center_used_atomic_promotionnow computed from theclosed gonol's ground set vs required ligand sites; CH4 and CO2 both flag
promotion, H2O/NH3 do not.
Regression tests added
m_s=+1, canonical order)m_s=+1)center_unpaired_lmexpectations to the canonical orderGates
PYTHONPATH=research/epac:libs/ucns/src python -m unittest discover -s research/epac/tests -q— 41 OK.github/workflows/epac.ymlruns the suite on PRs touching EPAC/UCNS