def test___init__copy(self):
'''check Atom copy constructor.
'''
self.a.xyz_cartn = (1, 2, 3)
a1 = Atom(self.a)
self.assertEqual(self.a, a1)
self.assertNotEqual(self.a, Atom())
return
def test_equality(self):
'''check Atom equal and not equal operators.
'''
self.assertEqual(self.a, Atom())
self.assertFalse(self.a != Atom())
a1 = Atom()
a1.atomtype = 'Na'
self.assertNotEqual(self.a, a1)
return
def test_equality(self):
'''check Atom equal and not equal operators.
'''
self.assertEqual(self.a, Atom())
self.assertFalse(self.a != Atom())
a1 = Atom()
a1.atomtype = 'Na'
self.assertNotEqual(self.a, a1)
return
def test_expandLatticeAtom(self):
"""Check CrystalStructureAdapter.expandLatticeAtom."""
cdse = loadCrystalStructureAdapter('CdSe_cadmoselite.cif')
a = Atom()
a.xyz_cartn = (0.1, 0.13, 0.17)
asymsites = cdse.expandLatticeAtom(a)
self.assertTrue(type(asymsites) is list)
self.assertEqual(12, len(asymsites))
self.assertEqual(12, cdse.countSymOps())
return
def test_expandLatticeAtom(self):
"""Check CrystalStructureAdapter.expandLatticeAtom."""
cdse = loadCrystalStructureAdapter('CdSe_cadmoselite.cif')
a = Atom()
a.xyz_cartn = (0.1, 0.13, 0.17)
asymsites = cdse.expandLatticeAtom(a)
self.assertTrue(type(asymsites) is list)
self.assertEqual(12, len(asymsites))
self.assertEqual(12, cdse.countSymOps())
return
def setUp(self):
self.a = Atom()
return