def test_HFIRCalculateGoniometer_HB3A_phi(self):
omega = np.deg2rad(42)
chi = np.deg2rad(-3)
phi = np.deg2rad(23)
R1 = np.array([
[np.cos(omega), 0, -np.sin(omega)], # omega 0,1,0,-1
[0, 1, 0],
[np.sin(omega), 0, np.cos(omega)]
])
R2 = np.array([
[np.cos(chi), np.sin(chi), 0], # chi 0,0,1,-1
[-np.sin(chi), np.cos(chi), 0],
[0, 0, 1]
])
R3 = np.array([
[np.cos(phi), 0, -np.sin(phi)], # phi 0,1,0,-1
[0, 1, 0],
[np.sin(phi), 0, np.cos(phi)]
])
R = np.dot(np.dot(R1, R2), R3)
wl = 1.54
k = 2 * np.pi / wl
theta = np.deg2rad(47)
phi = np.deg2rad(13)
q_lab = np.array([
-np.sin(theta) * np.cos(phi), -np.sin(theta) * np.sin(phi),
1 - np.cos(theta)
]) * k
q_sample = np.dot(np.linalg.inv(R), q_lab)
peaks = CreatePeaksWorkspace(OutputType="LeanElasticPeak",
NumberOfPeaks=0)
AddSampleLog(peaks, "Wavelength", str(wl), "Number")
SetGoniometer(peaks, Axis0='42,0,1,0,-1',
Axis1='-3,0,0,1,-1') # don't set phi
p = peaks.createPeakQSample(q_sample)
peaks.addPeak(p)
HFIRCalculateGoniometer(peaks,
OverrideProperty=True,
InnerGoniometer=True)
g = Goniometer()
g.setR(peaks.getPeak(0).getGoniometerMatrix())
YZY = g.getEulerAngles('YZY')
self.assertAlmostEqual(YZY[0], -42, delta=1e-10) # omega
self.assertAlmostEqual(YZY[1], 3, delta=1e-10) # chi
self.assertAlmostEqual(YZY[2], -23, delta=1e-1) # phi
self.assertAlmostEqual(peaks.getPeak(0).getWavelength(),
1.54,
delta=1e-10)
def test_HFIRCalculateGoniometer_HB2C_omega(self):
omega = np.deg2rad(42)
R = np.array([[np.cos(omega), 0, np.sin(omega)], [0, 1, 0],
[-np.sin(omega), 0, np.cos(omega)]])
wl = 1.54
k = 2 * np.pi / wl
theta = np.deg2rad(47)
phi = np.deg2rad(13)
q_lab = np.array([
-np.sin(theta) * np.cos(phi), -np.sin(theta) * np.sin(phi),
1 - np.cos(theta)
]) * k
q_sample = np.dot(np.linalg.inv(R), q_lab)
peaks = CreatePeaksWorkspace(OutputType="LeanElasticPeak",
NumberOfPeaks=0)
p = peaks.createPeakQSample(q_sample)
peaks.addPeak(p)
HFIRCalculateGoniometer(peaks, wl)
g = Goniometer()
g.setR(peaks.getPeak(0).getGoniometerMatrix())
YZY = g.getEulerAngles('YZY')
self.assertAlmostEqual(YZY[0], 42, delta=1e-10) # omega
self.assertAlmostEqual(YZY[1], 0, delta=1e-10) # chi
self.assertAlmostEqual(YZY[2], 0, delta=1e-10) # phi
self.assertAlmostEqual(peaks.getPeak(0).getWavelength(),
1.54,
delta=1e-10)
wl = 1.54
k = 2 * np.pi / wl
theta = np.deg2rad(47)
phi = np.deg2rad(13)
q_lab = np.array([
-np.sin(theta) * np.cos(phi), -np.sin(theta) * np.sin(phi),
1 - np.cos(theta)
]) * k
q_sample = np.dot(np.linalg.inv(R), q_lab)
peaks = CreatePeaksWorkspace(OutputType="LeanElasticPeak", NumberOfPeaks=0)
p = peaks.createPeakQSample(q_sample)
peaks.addPeak(p)
HFIRCalculateGoniometer(peaks, wl, OverrideProperty=True, InnerGoniometer=True)
g = Goniometer()
g.setR(peaks.getPeak(0).getGoniometerMatrix())
print(g.getEulerAngles('YZY'))
assert np.isclose(g.getEulerAngles('YZY')[0], 42)
chi = np.deg2rad(-3)
phi = np.deg2rad(23)
R1 = np.array([
[np.cos(omega), 0, -np.sin(omega)], # omega 0,1,0,-1
[0, 1, 0],