import classes

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

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14], [-0.28796, -0.44392, 0, 0.46901, 0.46899, 0, -0.28802, 0, -0.44399, 0, 0, 0, 0, 0])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14], [0.28273, -0.44592, 0, 0.4703, -0.47026, 0, -0.28282, 0, 0.446, 0, 0, 0, 0, 0])

HO = classes.Orbitale_moleculaire(-8.750642, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(-0.083811, tableau_coeffs_BV, 'BV')

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