import classes

atome1 = classes.Atome('C', 1, [2, 2, 3, 4])
atome2 = classes.Atome('C', 2, [1, 1, 5, 6])
atome3 = classes.Atome('H', 3, [1])
atome4 = classes.Atome('H', 4, [1])
atome5 = classes.Atome('H', 5, [2])
atome6 = classes.Atome('O', 6, [2, 7])
atome7 = classes.Atome('H', 7, [6])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7], [0.69693, 0.53150, 0, 0, 0, -0.48146, 0])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7], [-0.67857, 0.70595, 0, 0, 0, -0.20292, 0])

HO = classes.Orbitale_moleculaire(-9.566984, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.410639, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH2=CH-OH', HO, BV)