| import unittest |
|
|
| import sys |
| sys.path.insert(1, '../chemlib') |
|
|
| from chemlib.chemistry import Compound, Reaction, empirical_formula_by_percent_comp |
|
|
| class TestFormulae(unittest.TestCase): |
|
|
| CMPDS = { |
| "H2SO4": {"H": 2, "S": 1, "O": 4}, |
| "H2O": {'H': 2, 'O': 1}, |
| "C6H12O6": {"C": 6, "H": 12, "O": 6}, |
| "Al23": {"Al": 23}, |
| "MnO4": {"Mn" : 1, "O": 4}, |
| "Mg(SO4)2": {"Mg": 1, "S":2, "O":8}, |
| "(Al)3(SO4)2": {"Al": 3, "S":2, "O":8}, |
| "MnSMn": {"Mn": 2, "S":1}, |
| "C2H5OH": {"C": 2, "H": 6, "O": 1} |
| } |
| def test_formulae(self): |
| for formula_str, formula_parsed in self.CMPDS.items(): |
| self.assertEqual(Compound(formula_str).occurences, formula_parsed, msg=formula_str) |
|
|
| if __name__ == "__main__": |
| unittest.main() |
