def testcomposition_from_formula(self):
weightFractionAl = 0.21358626371988801
weightFractionNa = 0.27298103136883051
weightFractionB = 0.51343270491128157
comp = Material.composition_from_formula('Al2Na3B12')
self.assertAlmostEqual(weightFractionAl, comp[13], 4)
self.assertAlmostEqual(weightFractionNa, comp[11], 4)
self.assertAlmostEqual(weightFractionB, comp[5], 4)
comp = Material.composition_from_formula('Al 2 Na 3 B 12')
self.assertAlmostEqual(weightFractionAl, comp[13], 4)
self.assertAlmostEqual(weightFractionNa, comp[11], 4)
self.assertAlmostEqual(weightFractionB, comp[5], 4)
comp = Material.composition_from_formula('Al2 Na3 B12')
self.assertAlmostEqual(weightFractionAl, comp[13], 4)
self.assertAlmostEqual(weightFractionNa, comp[11], 4)
self.assertAlmostEqual(weightFractionB, comp[5], 4)
self.assertRaises(ValueError, Material.composition_from_formula, 'Aq2 Na3 B12')
comp = Material.composition_from_formula('Al2')
self.assertAlmostEqual(1.0, comp[13], 4)
