def test_siteOccupancy_valid(self):
"""Check DerivedStructureAdapter.siteOccupancy.
"""
adpt1 = self.adpt1
self.assertEqual(0.5, adpt1.siteOccupancy(0))
self.assertEqual(1.0, StructureAdapter.siteOccupancy(adpt1, 0))
return
def test_siteAtomType_valid(self):
"""Check DerivedStructureAdapter.siteAtomType.
"""
adpt1 = self.adpt1
self.assertEqual("Cu", adpt1.siteAtomType(0))
self.assertEqual("", StructureAdapter.siteAtomType(adpt1, 0))
return
def test_siteMultiplicity_valid(self):
"""Check DerivedStructureAdapter.siteMultiplicity.
"""
adpt1 = self.adpt1
self.assertEqual(2, adpt1.siteMultiplicity(0))
self.assertEqual(1, StructureAdapter.siteMultiplicity(adpt1, 0))
return
def test_siteMultiplicity_valid(self):
"""Check DerivedStructureAdapter.siteMultiplicity.
"""
adpt1 = self.adpt1
self.assertEqual(2, adpt1.siteMultiplicity(0))
self.assertEqual(1, StructureAdapter.siteMultiplicity(adpt1, 0))
return
def test_siteOccupancy_valid(self):
"""Check DerivedStructureAdapter.siteOccupancy.
"""
adpt1 = self.adpt1
self.assertEqual(0.5, adpt1.siteOccupancy(0))
self.assertEqual(1.0, StructureAdapter.siteOccupancy(adpt1, 0))
return
def test_siteAtomType_valid(self):
"""Check DerivedStructureAdapter.siteAtomType.
"""
adpt1 = self.adpt1
self.assertEqual("Cu", adpt1.siteAtomType(0))
self.assertEqual("", StructureAdapter.siteAtomType(adpt1, 0))
return
def setUp(self):
self.adpt = StructureAdapter()
return
class TestStructureAdapter(unittest.TestCase):
def setUp(self):
self.adpt = StructureAdapter()
return
# def test__customPQConfig(self):
# """check StructureAdapter._customPQConfig()
# """
# return
#
# def test_countSites(self):
# """check StructureAdapter.countSites()
# """
# return
#
# def test_createBondGenerator(self):
# """check StructureAdapter.createBondGenerator()
# """
# return
#
# def test_numberDensity(self):
# """check StructureAdapter.numberDensity()
# """
# return
def test_siteAtomType(self):
"""check StructureAdapter.siteAtomType()
"""
self.assertEqual("", self.adpt.siteAtomType(0))
return
def test_siteCartesianPosition(self):
"""check StructureAdapter.siteCartesianPosition()
"""
self.assertRaises(RuntimeError, self.adpt.siteAnisotropy, 0)
return
def test_siteMultiplicity(self):
"""check StructureAdapter.siteMultiplicity()
"""
self.assertEqual(1, self.adpt.siteMultiplicity(0))
return
def test_siteOccupancy(self):
"""check StructureAdapter.siteOccupancy()
"""
# check if we use the C++ method that alwasy return 1.
self.assertEqual(1.0, self.adpt.siteOccupancy(0))
self.assertEqual(1.0, self.adpt.siteOccupancy(99))
return
def test_siteAnisotropy(self):
"""check StructureAdapter.siteAnisotropy()
"""
self.assertRaises(RuntimeError, self.adpt.siteAnisotropy, 0)
return
def test_siteCartesianUij(self):
"""check StructureAdapter.siteCartesianUij()
"""
self.assertRaises(RuntimeError, self.adpt.siteCartesianUij, 0)
return
def setUp(self):
self.adpt = StructureAdapter()
return
class TestStructureAdapter(unittest.TestCase):
def setUp(self):
self.adpt = StructureAdapter()
return
# def test__customPQConfig(self):
# """check StructureAdapter._customPQConfig()
# """
# return
#
# def test_countSites(self):
# """check StructureAdapter.countSites()
# """
# return
#
# def test_createBondGenerator(self):
# """check StructureAdapter.createBondGenerator()
# """
# return
#
# def test_numberDensity(self):
# """check StructureAdapter.numberDensity()
# """
# return
def test_siteAtomType(self):
"""check StructureAdapter.siteAtomType()
"""
self.assertEqual("", self.adpt.siteAtomType(0))
return
def test_siteCartesianPosition(self):
"""check StructureAdapter.siteCartesianPosition()
"""
self.assertRaises(RuntimeError, self.adpt.siteAnisotropy, 0)
return
def test_siteMultiplicity(self):
"""check StructureAdapter.siteMultiplicity()
"""
self.assertEqual(1, self.adpt.siteMultiplicity(0))
return
def test_siteOccupancy(self):
"""check StructureAdapter.siteOccupancy()
"""
# check if we use the C++ method that alwasy return 1.
self.assertEqual(1.0, self.adpt.siteOccupancy(0))
self.assertEqual(1.0, self.adpt.siteOccupancy(99))
return
def test_siteAnisotropy(self):
"""check StructureAdapter.siteAnisotropy()
"""
self.assertRaises(RuntimeError, self.adpt.siteAnisotropy, 0)
return
def test_siteCartesianUij(self):
"""check StructureAdapter.siteCartesianUij()
"""
self.assertRaises(RuntimeError, self.adpt.siteCartesianUij, 0)
return
def __init__(self):
StructureAdapter.__init__(self)
self.positions = []
def siteOccupancy(self, idx):
self._checkindex(idx)
return 0.5 * StructureAdapter.siteOccupancy(self, idx)
def siteMultiplicity(self, idx):
self._checkindex(idx)
return 2 * StructureAdapter.siteMultiplicity(self, idx)
def siteOccupancy(self, idx):
self._checkindex(idx)
return 0.5 * StructureAdapter.siteOccupancy(self, idx)
def siteMultiplicity(self, idx):
self._checkindex(idx)
return 2 * StructureAdapter.siteMultiplicity(self, idx)
def __init__(self):
StructureAdapter.__init__(self)
self.positions = []