import classes

atome1 = classes.Atome('C', 1, [2, 2, 5, 6])
atome2 = classes.Atome('C', 2, [1, 1, 3, 10])
atome3 = classes.Atome('C', 3, [2, 4, 4, 7])
atome4 = classes.Atome('C', 4, [3, 3, 8, 9])
atome5 = classes.Atome('C', 5, [1, 11, 12, 13])
atome6 = classes.Atome('H', 6, [1])
atome7 = classes.Atome('H', 7, [3])
atome8 = classes.Atome('H', 8, [4])
atome9 = classes.Atome('C', 9, [4, 14, 15, 16])
atome10 = classes.Atome('H', 10, [2])
atome11 = classes.Atome('H', 11, [5])
atome12 = classes.Atome('H', 12, [5])
atome13 = classes.Atome('H', 13, [5])
atome14 = classes.Atome('H', 14, [9])
atome15 = classes.Atome('H', 15, [9])
atome16 = classes.Atome('H', 16, [9])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14, atome15, atome16], [0.51858, 0.41818, -0.41818, -0.51858, -0.12697, 0, 0, 0, 0.12697, 0, 0, 0.14156, -0.14156, 0, -0.14156, 0.14156])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14, atome15, atome16], [0.54996, -0.41444, -0.41444, 0.54996, 0.02253, 0, 0, 0, 0.02253, 0, 0, 0.11241, -0.11241, 0, 0.11241, -0.11241])

HO = classes.Orbitale_moleculaire(-8.775132, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(0.393749, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH3-CH=CH-CH=CH-CH3', HO, BV)