Python _has_unexpected_lone_pairs示例

示例#1

 def test_normal_oxygen(self):
     mol = Molecule(atoms=[Atom(element='O', lone_pairs=2)])
     unexpected = _has_unexpected_lone_pairs(mol)
     self.assertFalse(unexpected)

示例#2

 def test_oxygen_3_lone_pairs(self):
     mol = Molecule(atoms=[Atom(element='O', lone_pairs=3)])
     unexpected = _has_unexpected_lone_pairs(mol)
     self.assertTrue(unexpected)

示例#3

 def test_singlet_carbon(self):
     mol = Molecule(atoms=[Atom(element='C', lone_pairs=1)])
     unexpected = _has_unexpected_lone_pairs(mol)
     self.assertTrue(unexpected)