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import unittest
from finalcif.tools.sumformula import formula_str_to_dict, sum_formula_to_html
class MyTestCase(unittest.TestCase):
def test_sumform1(self):
self.assertEqual({'S': '', 'Sn': ''}, formula_str_to_dict("SSn"))
def test_sumform2(self):
self.assertEqual({'S': '1', 'Cl': ''}, formula_str_to_dict("S1Cl"))
def test_sumform3(self):
self.assertEqual({'C': '12', 'H': '6', 'O': '3', 'Mn': '7'}, formula_str_to_dict("C12H6O3Mn7"))
def test_sumform4(self):
self.assertEqual({'C': '12', 'H': '60', 'O': '3', 'Mn': '7'}, formula_str_to_dict("C12 H60 O3 Mn7"))
def test_sumform5(self):
self.assertEqual({'C': '12', 'H': '60', 'O': '3', 'Mn': '7'}, formula_str_to_dict("C12 H60 O3 Mn 7"))
def test_sumform6(self):
self.assertEqual({'C': '13', 'Cs': '12', 'H': '60', 'O': '3', 'Mn': '7'},
formula_str_to_dict("C13Cs12 H60 O3 Mn 7"))
def test_sumform7(self):
self.assertEqual({'C': '', 'H': '', 'Mn': ''}, formula_str_to_dict("CHMn\n"))
def test_sumform8(self):
with self.assertRaises(KeyError):
formula_str_to_dict("Hallo")
def test_sumform9(self):
with self.assertRaises(KeyError):
formula_str_to_dict("H3O+")
def test_sumform10(self):
self.assertEqual({'C': '4', 'H': '2.91', 'Al': '0.12', 'F': '4.36', 'Ni': '0.12', 'O': '0.48'},
formula_str_to_dict('C4 H2.91 Al0.12 F4.36 Ni0.12 O0.48'))
def test_sumform11(self):
with self.assertRaises(KeyError):
formula_str_to_dict('C4H6O1*5H2O')
class TestSumformHTLM(unittest.TestCase):
def test_sumform_to_html(self):
self.assertEqual('<html><body>C<sub>12</sub>H<sub>6</sub>O<sub>3</sub>Mn<sub>7</sub></body></html>',
sum_formula_to_html({'C': '12', 'H': '6', 'O': '3', 'Mn': '7'}))
if __name__ == '__main__':
unittest.main()
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