def testPointDefectConstruction(self):
identifiers=[(2, (0, 0)), (3, (0, 0)), ]
surface = Ge001
defect = SurfacePointDefect(
surface=surface,
identifiers=identifiers)
pos1 = defect.removedAtoms(coordinates='orth_surface').get_positions().mean(0)
pos = [pos1]
name = 'Test'
added_atoms = Atoms('Ag', pos)
test = Diamond001PointDefect(
name=name,
symbol='Ge',
identifiers=identifiers,
added_atoms=added_atoms,
)
self.assertEqual(test.name(), name)
