Пример #1
0
 def testCopy(self):
     crystal = SiAlpha
     atoms = crystal.atoms()
     atoms.cell *= 1.5
     store = atoms.copy()
     crystal = TestRelaxationSystem(crystal, atoms)
     new_crystal = crystal.copy()
     self.assertIsInstance(new_crystal, DiamondStructure)
     self.assertEqual(new_crystal.symbol(), 'Si')
     atoms = new_crystal.atoms()
     self.assertArraysEqual(store.cell, atoms.cell, 5)