Example #1
0
 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))
Example #2
0
 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))
Example #3
0
 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)
Example #4
0
 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)