def _testformula(self, num): l = linear_formula.linear_formula() linear, smile, start_valency, end_valency = self.formulas[num] m1 = l.parse_text(linear, start_valency=start_valency, end_valency=end_valency) m2 = smiles.text_to_mol(smile) self.assert_(molecule.equals(m1, m2, level=3))
def _testformula(self, num): l = linear_formula.linear_formula() linear, smile, start_valency, end_valency = self.formulas[num] m1 = l.parse_text( linear, start_valency=start_valency, end_valency=end_valency) m2 = smiles.text_to_mol( smile) self.assert_(molecule.equals(m1,m2,level=3))
def _testformula(self, num): smile1, smile2, result = self.formulas[num] m1 = smiles.text_to_mol( smile1) m2 = smiles.text_to_mol( smile2) self.assert_(molecule.equals(m1,m2,level=3)==result)
def _testformula(self, num): smile1, smile2, result = self.formulas[num] m1 = smiles.text_to_mol(smile1) m2 = smiles.text_to_mol(smile2) self.assert_(molecule.equals(m1, m2, level=3) == result)