Ejemplo n.º 1
0
 def test_can_get_pairwise_atoms(self, mock_atoms):
     mock_atoms.return_value = set(self.atoms)
     structure = AtomStructure(self.atom1, self.atom2, self.atom3)
     collected_atoms = []
     for pair in structure.pairwise_atoms(a=1, b=2):
         collected_atoms += list(pair)
     for atom in self.atoms:
         self.assertEqual(collected_atoms.count(atom), 2)
     mock_atoms.assert_called_with(a=1, b=2)
Ejemplo n.º 2
0
 def test_can_get_pairwise_atoms_one(self, mock_atoms):
     mock_atoms.return_value = set(self.atoms[:1])
     structure = AtomStructure(self.atom1)
     self.assertEqual(len(list(structure.pairwise_atoms())), 0)