def testScattererB(self):
"""Test Biso and Bij of scatterer."""
sp1, junk = makeScatterer()
self.assertTrue(sp1.IsIsotropic())
sp2, junk = makeScattererAnisotropic()
self.assertFalse(sp2.IsIsotropic())
return
def testGetScatterer(self):
"""Test GetScatterer."""
sp, atom = makeScatterer()
c = makeCrystal(sp, atom)
for i in range(c.GetNbScatterer()):
c.GetScatterer(i)
return
def testScattererB(self):
"""Test Biso and Bij of scatterer."""
sp1, junk = makeScatterer()
self.assertTrue(sp1.IsIsotropic())
sp2, junk = makeScattererAnisotropic()
self.assertFalse(sp2.IsIsotropic())
return
def testDummyAtom(self):
"""Test dummy atoms."""
c = makeCrystal(*makeScatterer())
c.AddScatterer(Atom(0, 0, 0, "dummy", None))
d = c.GetScatterer("dummy")
self.assertTrue(d.GetScatteringPower() is None)
return
def testDummyAtom(self):
"""Test dummy atoms."""
c = makeCrystal(*makeScatterer())
c.AddScatterer(Atom(0, 0, 0, "dummy", None))
d = c.GetScatterer("dummy")
self.assertTrue(d.GetScatteringPower() is None)
return
def testCrystalScope(self):
"""Test to see if the the crystal survives after it is out of scope."""
sp, atom = makeScatterer()
makeCrystal(sp, atom)
# The crystal is out of scope. Since the lifetime of the atom and
# scatterer are linked, the crystal should stay alive in memory.
self.assertEqual("Ni", sp.GetName())
self.assertEqual("Ni", atom.GetName())
return
def testCrystalScope(self):
"""Test to see if the the crystal survives after it is out of scope."""
sp, atom = makeScatterer()
makeCrystal(sp, atom)
# The crystal is out of scope. Since the lifetime of the atom and
# scatterer are linked, the crystal should stay alive in memory.
self.assertEqual("Ni", sp.GetName())
self.assertEqual("Ni", atom.GetName())
return
def testRemoveFunctions(self):
"""Test the RemoveScatterer and RemoveScatteringPower method."""
sp, atom = makeScatterer()
c = makeCrystal(sp, atom)
# You can add scatterers with the same name. That should be a no-no.
sp2, atom2 = makeScatterer()
c.AddScatterer(atom2)
c.AddScatteringPower(sp2)
# These act according to the library. You can try to remove an object
# that is not in the crystal, and it will gladly do nothing for you.
# Remove the scatterers
c.RemoveScatterer(atom)
c.RemoveScatteringPower(sp)
# Remove again
c.RemoveScatterer(atom)
c.RemoveScatteringPower(sp)
# Try to remove scatterers that are not in the crystal
c.RemoveScatterer(atom2)
c.RemoveScatteringPower(sp2)
return
def testRemoveFunctions(self):
"""Test the RemoveScatterer and RemoveScatteringPower method."""
sp, atom = makeScatterer()
c = makeCrystal(sp, atom)
# You can add scatterers with the same name. That should be a no-no.
sp2, atom2 = makeScatterer()
c.AddScatterer(atom2)
c.AddScatteringPower(sp2)
# These act according to the library. You can try to remove an object
# that is not in the crystal, and it will gladly do nothing for you.
# Remove the scatterers
c.RemoveScatterer(atom)
c.RemoveScatteringPower(sp)
# Remove again
c.RemoveScatterer(atom)
c.RemoveScatteringPower(sp)
# Try to remove scatterers that are not in the crystal
c.RemoveScatterer(atom2)
c.RemoveScatteringPower(sp2)
return
def testGetScatteringComponentList(self):
"""Test the RemoveScatterer and RemoveScatteringPower method."""
sp, atom = makeScatterer()
c = makeCrystal(sp, atom)
scl = c.GetScatteringComponentList()
self.assertEqual(1, len(scl))
sclcopy = scl[:]
self.assertEqual(1, len(scl))
del sclcopy[0]
self.assertEqual(0, len(sclcopy))
self.assertEqual(1, len(scl))
del scl[0]
self.assertEqual(0, len(scl))
return
def testGetScatteringComponentList(self):
"""Test the RemoveScatterer and RemoveScatteringPower method."""
sp, atom = makeScatterer()
c = makeCrystal(sp, atom)
scl = c.GetScatteringComponentList()
self.assertEqual(1, len(scl))
sclcopy = scl[:]
self.assertEqual(1, len(scl))
del sclcopy[0]
self.assertEqual(0, len(sclcopy))
self.assertEqual(1, len(scl))
del scl[0]
self.assertEqual(0, len(scl))
return
def testGetScatterer(self):
"""Test GetScatterer and GetScatt."""
sp, atom = makeScatterer()
c = makeCrystal(sp, atom)
for fget in (c.GetScatterer, c.GetScatt):
for i in range(c.GetNbScatterer()):
fget(i)
a = fget(0)
ani = fget("Ni")
self.assertEqual([a.X, a.Y, a.Z], [ani.X, ani.Y, ani.Z])
a.X = 0.112
self.assertEqual(a.X, ani.X)
aneg = fget(-1)
self.assertEqual(a.X, aneg.X)
self.assertRaises(ValueError, fget, 'invalid')
self.assertRaises(IndexError, fget, 10)
self.assertRaises(IndexError, fget, -2)
return
def testToFromPython(self):
"""See if refinable parameters can be created from within python and
within c++."""
c = makeCrystal(*makeScatterer())
# Get a parameter created from c++
par = c.GetPar("a")
self.assertAlmostEqual(3.52, par.GetValue())
# pass a parameter and pass it into c++
c.AddPar(self.testpar);
# get it back
testpar2 = c.GetPar("test")
self.assertAlmostEqual(self.testpar.GetValue(), testpar2.GetValue())
testpar2.SetValue(2.17)
self.assertAlmostEqual(2.17, testpar2.GetValue(), places = 6)
self.assertAlmostEqual(self.testpar.GetValue(), testpar2.GetValue())
return
def testEmbedding(self):
"""Test integrity of mutually-embedded objects."""
c = makeCrystal(*makeScatterer())
class Level1(object):
def __init__(self, c):
self.c = c
self.level2 = Level2(self)
return
class Level2(object):
def __init__(self, level1):
self.level1 = level1
return
l1 = Level1(c)
del l1
return
def testEmbedding(self):
"""Test integrity of mutually-embedded objects."""
c = makeCrystal(*makeScatterer())
class Level1(object):
def __init__(self, c):
self.c = c
self.level2 = Level2(self)
return
class Level2(object):
def __init__(self, level1):
self.level1 = level1
return
l1 = Level1(c)
del l1
return