import classes

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

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10], [-0.14577, -0.14573, 0.64610, 0.64606, -0.15731, -0.15720, 0.15726, 0.15725, 0.00001, -0.00001])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10], [-0.03406, 0.03403, 0.67901, -0.67899, 0.11247, -0.11237, 0.11243, -0.11241, 0.00007, 0.00009])

HO = classes.Orbitale_moleculaire(-9.717463, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.195125, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('cyclobutene', HO, BV)