def test_shape(self):
"""Test whether the rhodots are shaped correctly."""
arr = nonadiabatic.deltaPspectrum(self.Vphi, self.phidot, self.H,
self.modes, self.modesdot, self.axis)
result = arr.shape
newshape = list(self.phidot.shape)
del newshape[self.axis]
actual = tuple(newshape)
assert_(result == actual, "Result shape %s, but desired shape is %s"%(str(result), str(actual)))
def test_not_complex(self):
"""Test that returned object is not complex."""
Vphi = np.array([1,2]).reshape((2,1))
phidot = np.array([1,1]).reshape((2,1))
H = np.array([1]).reshape((1,1))
modes = np.array([[1, 1j],[-1j, 3-1j]]).reshape((2,2,1))
modesdot = np.array([[1, -1j],[1j, 3+1j]]).reshape((2,2,1))
axis=0
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot, axis)
assert_((not np.iscomplexobj(arr)))
def test_imaginary(self):
"""Test calculation with complex values."""
Vphi = np.array([1,2]).reshape((2,1))
phidot = np.array([1,1]).reshape((2,1))
H = np.array([1]).reshape((1,1))
modes = np.array([[1, 1j],[-1j, 3-1j]]).reshape((2,2,1))
modesdot = np.array([[1, -1j],[1j, 3+1j]]).reshape((2,2,1))
axis=0
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot, axis)
desired = np.array([54])
assert_almost_equal(arr, desired)
def test_two_by_two_by_one(self):
"""Test that 2x2x1 calculation works."""
Vphi = np.array([1,2]).reshape((2,1))
phidot = np.array([7,9]).reshape((2,1))
modes = np.array([[1,3],[2,5]]).reshape((2,2,1))
modesdot = np.array([[1,3],[2,5]]).reshape((2,2,1))
axis = 0
H = np.array([2]).reshape((1,1))
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot, axis)
desired = np.array([6405**2 + 16909**2])
assert_almost_equal(arr, desired)
def test_singlefield(self):
"""Test single field calculation."""
modes = np.array([[7]])
modesdot = np.array([[3]])
Vphi = 3
phidot = 1.7
H = 0.5
axis=0
actual = (0.5**2*1.7*3-0.5**3*1.7**2*1.7*7-21)**2
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot, axis)
assert_almost_equal(arr, actual)
def test_not_complex(self):
"""Test that returned object is not complex."""
Vphi = np.array([1, 2]).reshape((2, 1))
phidot = np.array([1, 1]).reshape((2, 1))
H = np.array([1]).reshape((1, 1))
modes = np.array([[1, 1j], [-1j, 3 - 1j]]).reshape((2, 2, 1))
modesdot = np.array([[1, -1j], [1j, 3 + 1j]]).reshape((2, 2, 1))
axis = 0
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot,
axis)
assert_((not np.iscomplexobj(arr)))
def test_shape(self):
"""Test whether the rhodots are shaped correctly."""
arr = nonadiabatic.deltaPspectrum(self.Vphi, self.phidot, self.H,
self.modes, self.modesdot, self.axis)
result = arr.shape
newshape = list(self.phidot.shape)
del newshape[self.axis]
actual = tuple(newshape)
assert_(
result == actual, "Result shape %s, but desired shape is %s" %
(str(result), str(actual)))
def test_imaginary(self):
"""Test calculation with complex values."""
Vphi = np.array([1, 2]).reshape((2, 1))
phidot = np.array([1, 1]).reshape((2, 1))
H = np.array([1]).reshape((1, 1))
modes = np.array([[1, 1j], [-1j, 3 - 1j]]).reshape((2, 2, 1))
modesdot = np.array([[1, -1j], [1j, 3 + 1j]]).reshape((2, 2, 1))
axis = 0
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot,
axis)
desired = np.array([54])
assert_almost_equal(arr, desired)
def test_two_by_two_by_one(self):
"""Test that 2x2x1 calculation works."""
Vphi = np.array([1, 2]).reshape((2, 1))
phidot = np.array([7, 9]).reshape((2, 1))
modes = np.array([[1, 3], [2, 5]]).reshape((2, 2, 1))
modesdot = np.array([[1, 3], [2, 5]]).reshape((2, 2, 1))
axis = 0
H = np.array([2]).reshape((1, 1))
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot,
axis)
desired = np.array([6405**2 + 16909**2])
assert_almost_equal(arr, desired)
def test_singlefield(self):
"""Test single field calculation."""
modes = np.array([[7]])
modesdot = np.array([[3]])
Vphi = 3
phidot = 1.7
H = 0.5
axis = 0
actual = (0.5**2 * 1.7 * 3 - 0.5**3 * 1.7**2 * 1.7 * 7 - 21)**2
arr = nonadiabatic.deltaPspectrum(Vphi, phidot, H, modes, modesdot,
axis)
assert_almost_equal(arr, actual)