def test_average_reflect(self):
data11 = dataformat.QData(0.05, 0.1, 0., 0.05 * 0.05)
data12 = dataformat.QData(0.25, 0.05, 0., 0.05 * 0.25)
data13 = dataformat.QData(0.50, 0.01, 0., 0.05 * 0.50)
data1 = [data11, data12, data13]
data21 = dataformat.QData(0.05, 0.12, 0., 0.05 * 0.05)
data22 = dataformat.QData(0.25, 0.03, 0., 0.05 * 0.25)
data23 = dataformat.QData(0.50, 0.015, 0., 0.05 * 0.50)
data2 = [data21, data22, data23]
data31 = dataformat.QData(0.05, 0.14, 0., 0.05 * 0.05)
data32 = dataformat.QData(0.25, 0.07, 0., 0.05 * 0.25)
data33 = dataformat.QData(0.50, 0.005, 0., 0.05 * 0.50)
data3 = [data31, data32, data33]
layer1 = dataformat.SLDPro(1., 0., 0.)
layer2 = dataformat.SLDPro(1., 5., 0.)
sld = [[layer1, layer2]]
ddata1 = dataformat.QData(0.05, 0., 0., 0.05 * 0.05)
ddata2 = dataformat.QData(0.25, 0., 0., 0.05 * 0.25)
ddata3 = dataformat.QData(0.50, 0., 0., 0.05 * 0.50)
ddata = [ddata1, ddata2, ddata3]
a = reflect.Reflect(sld, ddata)
a.reflect = [data1, data2, data3]
a.average_ref()
assert_almost_equal(a.averagereflect[0].i, 0.12)
assert_almost_equal(a.averagereflect[1].i, 0.05)
assert_almost_equal(a.averagereflect[2].i, 0.01)
def test_fit_noi(self):
data11 = dataformat.QData(0.05, 0.1, 0., 0.05 * 0.05)
data12 = dataformat.QData(0.25, 0.05, 0., 0.05 * 0.25)
data13 = dataformat.QData(0.50, 0.01, 0., 0.05 * 0.50)
data1 = [data11, data12, data13]
data21 = dataformat.QData(0.05, 0.12, 0., 0.05 * 0.05)
data22 = dataformat.QData(0.25, 0.03, 0., 0.05 * 0.25)
data23 = dataformat.QData(0.50, 0.015, 0., 0.05 * 0.50)
data2 = [data21, data22, data23]
data31 = dataformat.QData(0.05, 0.14, 0., 0.05 * 0.05)
data32 = dataformat.QData(0.25, 0.07, 0., 0.05 * 0.25)
data33 = dataformat.QData(0.50, 0.005, 0., 0.05 * 0.50)
data3 = [data31, data32, data33]
layer1 = dataformat.SLDPro(1., 0., 0.)
layer2 = dataformat.SLDPro(1., 5., 0.)
sld = [[layer1, layer2]]
ddata1 = dataformat.QData(0.05, 0., 0., 0.05 * 0.05)
ddata2 = dataformat.QData(0.25, 0., 0., 0.05 * 0.25)
ddata3 = dataformat.QData(0.50, 0., 0., 0.05 * 0.50)
ddata = [ddata1, ddata2, ddata3]
a = reflect.Reflect(sld, ddata)
a.reflect = [data1, data2, data3]
a.average_ref()
ddata1 = dataformat.QData(0.05, None, 0., 0.05 * 0.05)
ddata2 = dataformat.QData(0.25, 0., 0., 0.05 * 0.25)
ddata3 = dataformat.QData(0.50, 0., 0., 0.05 * 0.50)
ddata = [ddata1, ddata2, ddata3]
k = compare.Compare(ddata, a.averagereflect, 1, 0)
with self.assertRaises(ValueError) as context:
k.fit()
self.assertTrue(
'No experimental data has been set for comparison, please read in a a .dat file.'
in str(context.exception))
def test_fit_noq(self):
data11 = dataformat.QData(0.05, 0.1, 0., 0.05 * 0.05)
data12 = dataformat.QData(0.25, 0.05, 0., 0.05 * 0.25)
data13 = dataformat.QData(0.50, 0.01, 0., 0.05 * 0.50)
data1 = [data11, data12, data13]
data21 = dataformat.QData(0.05, 0.12, 0., 0.05 * 0.05)
data22 = dataformat.QData(0.25, 0.03, 0., 0.05 * 0.25)
data23 = dataformat.QData(0.50, 0.015, 0., 0.05 * 0.50)
data2 = [data21, data22, data23]
data31 = dataformat.QData(0.05, 0.14, 0., 0.05 * 0.05)
data32 = dataformat.QData(0.25, 0.07, 0., 0.05 * 0.25)
data33 = dataformat.QData(0.50, 0.005, 0., 0.05 * 0.50)
data3 = [data31, data32, data33]
layer1 = dataformat.SLDPro(1., 0., 0.)
layer2 = dataformat.SLDPro(1., 5., 0.)
sld = [[layer1, layer2]]
ddata1 = dataformat.QData(0.05, 0., 0., 0.05 * 0.05)
ddata2 = dataformat.QData(0.25, 0., 0., 0.05 * 0.25)
ddata3 = dataformat.QData(0.50, 0., 0., 0.05 * 0.50)
ddata = [ddata1, ddata2, ddata3]
a = reflect.Reflect(sld, ddata)
a.reflect = [data1, data2, data3]
a.average_ref()
ddata = []
k = compare.Compare(ddata, a.averagereflect, 1, 0)
with self.assertRaises(ValueError) as context:
k.fit()
self.assertTrue(
'No q vectors have been defined -- either read a .dat file or get q vectors.'
in str(context.exception))
def test_average_reflect_noq(self):
layer1 = dataformat.SLDPro(1., 0., 0.)
layer2 = dataformat.SLDPro(1., 5., 0.)
sld = [[layer1, layer2]]
ddata = []
a = reflect.Reflect(sld, ddata)
with self.assertRaises(ValueError) as context:
a.average_ref()
self.assertTrue(
'No q vectors have been defined -- either read a .dat file or get q vectors.'
in str(context.exception))
def test_calc_ref_basic(self):
layer1 = dataformat.SLDPro(1., 0., 0.)
layer2 = dataformat.SLDPro(1., 5., 0.)
sld = [[layer1, layer2]]
data1 = dataformat.QData(0.05, 0., 0., 0.05 * 0.05)
data2 = dataformat.QData(0.25, 0., 0., 0.05 * 0.25)
data3 = dataformat.QData(0.50, 0., 0., 0.05 * 0.50)
data = [data1, data2, data3]
a = reflect.Reflect(sld, data)
a.calc_ref()
assert_equal(len(a.reflect), 1)
assert_equal(len(a.reflect[0]), 3)
def test_reflect(self):
layer1 = dataformat.SLDPro(1., 0., 0.)
layer2 = dataformat.SLDPro(1., 5., 0.)
sld = [[layer1, layer2]]
data1 = dataformat.QData(0.05, 0., 0., 0.05 * 0.05)
data2 = dataformat.QData(0.25, 0., 0., 0.05 * 0.25)
data3 = dataformat.QData(0.50, 0., 0., 0.05 * 0.50)
data = [data1, data2, data3]
a = reflect.Reflect(sld, data)
assert_almost_equal(a.sld_profile[0][0].thick, 1.)
assert_almost_equal(a.sld_profile[0][0].real, 0.)
assert_almost_equal(a.sld_profile[0][0].imag, 0.)
assert_almost_equal(a.sld_profile[0][1].thick, 1.)
assert_almost_equal(a.sld_profile[0][1].real, 5.)
assert_almost_equal(a.sld_profile[0][1].imag, 0.)
assert_almost_equal(a.exp_data[0].q, 0.05)
assert_almost_equal(a.exp_data[0].dq, 0.05 * 0.05)
assert_almost_equal(a.exp_data[1].q, 0.25)
assert_almost_equal(a.exp_data[1].dq, 0.25 * 0.05)
assert_almost_equal(a.exp_data[2].q, 0.50)
assert_almost_equal(a.exp_data[2].dq, 0.50 * 0.05)