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from ase.data.isotopes import parse_isotope_data
def test_isotopes():
raw_data = ['<html>',
'__________________________________________________________',
'1 H 1 1.00782503223(9) 0.999885(70)'
' [1.00784,1.00811] m',
' D 2 2.01410177812(12) 0.000115(70)',
' T 3 3.0160492779(24) ',
' H 4 4.02643(11) ',
' 5 5.035311(96) ',
' 6 6.04496(27) ',
' 7 7.0527(11#) ',
'___________________________________________________________',
'2 He 3 3.0160293201(25) 0.00000134(3) 4.002602(2)'
' g,r',
' 4 4.00260325413(6) 0.99999866(3)',
' 5 5.012057(21) ',
' 6 6.018885891(57) ',
' 7 7.0279907(81) ',
' 8 8.033934390(95) ',
' 9 9.043946(50) ',
' 10 10.05279(11) ',
'___________________________________________________________']
isotopes = parse_isotope_data(raw_data)
assert isotopes[1][2]['mass'] == 2.01410177812
assert isotopes[2][4]['composition'] == 0.99999866
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