def test_can_add_structure(self):
structure = AtomStructure(self.atom1, self.atom2)
other = Mock(AtomStructure)
other._atoms = {self.atom3}
structure.add(other)
self.assertEqual(structure._id_atoms, {
500: {self.atom1, self.atom2},
700: {self.atom3}
})
self.assertEqual(structure._atoms, set(self.atoms))
def test_can_add_atom_to_structure(self):
structure = AtomStructure(self.atom1)
self.assertEqual(structure._id_atoms, {500: {self.atom1}})
self.assertEqual(structure._atoms, {self.atom1})
structure.add(self.atom2)
self.assertEqual(structure._id_atoms, {500: {self.atom1, self.atom2}})
self.assertEqual(structure._atoms, {self.atom1, self.atom2})
structure.add(self.atom3)
self.assertEqual(structure._id_atoms, {
500: {self.atom1, self.atom2},
700: {self.atom3}
})
self.assertEqual(structure._atoms, set(self.atoms))
def test_can_update_atom_awareness(self):
try:
AtomStructure.__name__ = "AtomStructure"
structure = AtomStructure()
structure.add(self.atom1)
self.assertFalse(hasattr(self.atom1, "_atomstructure"))
AtomStructure.__name__ = "Model"
structure.add(self.atom1)
self.assertIs(self.atom1._model, structure)
AtomStructure.__name__ = "Ligand"
structure.add(self.atom1)
self.assertIs(self.atom1._ligand, structure)
AtomStructure.__name__ = "Residue"
structure.add(self.atom1)
self.assertIs(self.atom1._residue, structure)
AtomStructure.__name__ = "Chain"
structure.add(self.atom1)
self.assertIs(self.atom1._chain, structure)
finally:
AtomStructure.__name__ = "AtomStructure"