def test_constant_smearing(self):
# check that constant dq/q smearing is the same as point by point
dqvals = 0.05 * self.qvals
calc = reflect.reflectivity(self.qvals, self.coefs,
**{'dqvals': dqvals, 'quad_order': 'ultimate'})
calc2 = reflect.reflectivity(self.qvals, self.coefs,
**{'dqvals': 5.})
assert_allclose(calc, calc2, rtol=0.011)
def smearing_precision_comparison(maxorder=50):
'''
a quick script to see how the smeared reflectivity changes as a function of
smearing precision
'''
# import q values and dqvalues from the smearing test
theoretical = np.loadtxt(
'refnx/analysis/test/smeared_theoretical.txt')
qvals, rvals, dqvals = np.hsplit(theoretical, 3)
qvals = qvals.flatten()
dqvals = dqvals.flatten()
# coefficients for the model
a = np.zeros((12))
a[0] = 1.
a[1] = 1.
a[4] = 2.07
a[7] = 3
a[8] = 100
a[9] = 3.47
a[11] = 2
# setup an array for the smeared rvals.
smeared_rvals = np.zeros((maxorder + 1, qvals.size))
# now output all the smearing.
t0 = time()
smeared_rvals[0, :] = reflect.reflectivity(
qvals, a, **{'dqvals': dqvals, 'quad_order': 'ultimate'})
t1 = time()
print('ultimate takes %f' % (t1 - t0))
for idx in range(1, maxorder + 1):
t0 = time()
smeared_rvals[idx, :] = reflect.reflectivity(qvals,
a,
**{'dqvals': dqvals,
'quad_order': idx})
t1 = time()
print(idx, ' takes %f' % (t1 - t0))
np.savetxt('smearing_comp', smeared_rvals.T)
def test_smearedabeles(self):
# test smeared reflectivity calculation with values generated from
# Motofit (quadrature precsion order = 13)
theoretical = np.loadtxt(os.path.join(path, 'smeared_theoretical.txt'))
qvals, rvals, dqvals = np.hsplit(theoretical, 3)
'''
the order of the quadrature precision used to create these smeared
values in Motofit was 13.
Do the same here
'''
calc = reflect.reflectivity(qvals.flatten(), self.coefs,
**{'dqvals': dqvals.flatten(), 'quad_order': 13})
assert_almost_equal(rvals.flatten(), calc)
def test_smearedabeles_reshape(self):
# test smeared reflectivity calculation with values generated from
# Motofit (quadrature precsion order = 13)
theoretical = np.loadtxt(os.path.join(path, 'smeared_theoretical.txt'))
qvals, rvals, dqvals = np.hsplit(theoretical, 3)
'''
the order of the quadrature precision used to create these smeared
values in Motofit was 13.
Do the same here
'''
reshaped_q = np.reshape(qvals, (2, 250))
reshaped_r = np.reshape(rvals, (2, 250))
reshaped_dq = np.reshape(dqvals, (2, 250))
calc = reflect.reflectivity(reshaped_q, self.coefs,
**{'dqvals': reshaped_dq, 'quad_order': 13})
assert_almost_equal(calc, reshaped_r, 15)
def test_abeles(self):
# test reflectivity calculation with values generated from Motofit
calc = reflect.reflectivity(self.qvals, self.coefs)
assert_almost_equal(calc, self.rvals)
def reflect_fitfunc(q, params, *args):
coefs = np.asfarray(list(params.valuesdict().values()))
return np.log10(reflect.reflectivity(q, coefs, parallel=True))