def test_qangle_NoGC_NoOC_right(self):
# No geometry constraints, no omega constraints, all parameters are arrays,
# except for sign=-1
test_case5 = array([[10, 0, 1, 0, 0, 0.72, 0, 0.12, -19, 0, 80.5, 0, 80.5, 0],
[10, 0, 0, 1, 0, 0.72, 0, 0.12, -19, 0, 80.5, 0, 20.5, 0],
[10, 0, -1, 0, 0, 0.72, 0, 0.12, -19, 0, 80.5, 0, -99.5, 0],
[10, 0, 0, -1, 0, 0.72, 0, 0.12, -19, 0, 80.5, 0, -159.5, 0],
[10, 0, 1, 1, 0, 1.2, 0, 0.36, -33.2, 0, 73.4, 0, 43.4, 0],
[10, 0, 0.2, 0, 0, 0.14, 0, 0, -3.8, 0, 88.1, 0, 88.1, 0],
[10, 0, 0.02, 0, 0, 0.015, 0, 5e-05, -0.4, 0, 89.8, 0, 89.8, 0],
[10, 5, 1, 0, 0, 0.28, 0, 0.67, -10.4, 0, 22.8, 0, 22.8, 0],
[10, -5, 1, 0, 0, 0.59, 0, -0.43, -12.6, 0, 126.3, 0, 126.3, 0],
[10, 0, 5, 0, 0, 2.05, 0, 3, -111.3, 0, 34.4, 0, 34.3, 0]])
a=10
b=10
c=10
alpha=90
beta=90
gamma=120
u=[1,0,0]
v=[0,1,0]
ol=OrientedLattice(a, b, c, alpha, beta, gamma)
ol.setUFromVectors(u,v)
sign=-1
(Ei, DE, H, K, L, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_kf_angle,
expected_out_plane_kf_angle, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_omega, expected_error_code) = test_case5.T
HKL = vstack([H,K,L]).T
pars = {'Ei': Ei, 'hkl': HKL, 'DeltaE': DE, 'sign': sign}
expected_error_code = [ErrorCodes(ec) for ec in expected_error_code]
self.run_test(ol, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_in_plane_kf_angle, expected_out_plane_kf_angle, expected_omega, expected_error_code, **pars)
def test_qangle_NoGC_NoOC(self):
# No geometry constraints, no omega constraints, all parameters are arrays
test_case1 = array([[10, 0, 1, 0, 0, 1, -0.72, 0, 0.12, 19, 0, -80.5, 0, -80.5, 0],
[10, 0, 0, 1, 0, 1, -0.72, 0, 0.12, 19, 0, -80.5, 0, -140.5, 0],
[10, 0, -1, 0, 0, 1, -0.72, 0, 0.12, 19, 0, -80.5, 0, 99.5, 0],
[10, 0, 0, -1, 0, 1, -0.72, 0, 0.12, 19, 0, -80.5, 0, 39.5, 0],
[10, 0, 1, 1, 0, 1, -1.2, 0, 0.36, 33.2, 0, -73.4, 0, -103.4, 0],
[10, 0, 0.2, 0, 0, 1, -0.14, 0, 0, 3.8, 0, -88.1, 0, -88.1, 0],
[10, 0, 0.02, 0, 0, 1, -0.015, 0, 5e-05, 0.4, 0, -89.8, 0, -89.8, 0],
[10, 5, 1, 0, 0, 1, -0.28, 0, 0.67, 10.4, 0, -22.8, 0, -22.7, 0],
[10, -5, 1, 0, 0, 1, -0.59, 0, -0.43, 12.6, 0, -126.3, 0, -126.3, 0],
[10, 0, 5, 0, 0, 1, -2.05, 0, 3, 111.3, 0, -34.4, 0, -34.3, 0],
[10, 0, 1, -0.01, -0.18, 1, -0.71, -0.11, 0.12, 19, 3, -80.3, -9, -79.7, 0],
[10, 0, 1, 0, -0.6, 1, -0.72, -0.38, 0.15, 19.13, 10, -77.8, -27.5, -77.9, 0],
[10, 0, 1, 0, 0, -1, 0.72, 0, 0.12, -19, 0, 80.5, 0, 80.5, 0],
[10, 0, 0, 1, 0, -1, 0.72, 0, 0.12, -19, 0, 80.5, 0, 20.5, 0],
[10, 0, -1, 0, 0, -1, 0.72, 0, 0.12, -19, 0, 80.5, 0, -99.5, 0],
[10, 0, 0, -1, 0, -1, 0.72, 0, 0.12, -19, 0, 80.5, 0, -159.5, 0],
[10, 0, 1, 1, 0, -1, 1.2, 0, 0.36, -33.2, 0, 73.4, 0, 43.4, 0],
[10, 0, 0.2, 0, 0, -1, 0.14, 0, 0, -3.8, 0, 88.1, 0, 88.1, 0],
[10, 0, 0.02, 0, 0, -1, 0.015, 0, 5e-05, -0.4, 0, 89.8, 0, 89.8, 0],
[10, 5, 1, 0, 0, -1, 0.28, 0, 0.67, -10.4, 0, 22.8, 0, 22.8, 0],
[10, -5, 1, 0, 0, -1, 0.59, 0, -0.43, -12.6, 0, 126.3, 0, 126.3, 0],
[10, 0, 5, 0, 0, -1, 2.05, 0, 3, -111.3, 0, 34.4, 0, 34.3, 0],
[20, 0, 1, 0, 0, 1, -0.72, 0, 0.08, 13.4, 0, -83.3, 0, -83.3, 0],
[10, 0, 8, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2],
[10, 20, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2],
[-10, 0, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 1],
[10, 0, 1, 0, nan, 1, nan, nan, nan, nan, nan, nan, nan, nan, 1],
[10, 0, -1.3, 3.4, -3.5, -1, nan, nan, nan, nan, nan, nan, nan, nan, 3],
[10, 0, -1.3, 3.4, 3.5, -1, nan, nan, nan, nan, nan, nan, nan, nan, 3]])
a=10
b=10
c=10
alpha=90
beta=90
gamma=120
u=[1,0,0]
v=[0,1,0]
ol=OrientedLattice(a, b, c, alpha, beta, gamma)
ol.setUFromVectors(u,v)
(Ei, DE, H, K, L, sign, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_kf_angle,
expected_out_plane_kf_angle, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_omega, expected_error_code) = test_case1.T
HKL = vstack([H,K,L]).T
pars = {'Ei': Ei, 'hkl': HKL, 'DeltaE': DE, 'sign': sign}
expected_error_code = [ErrorCodes(ec) for ec in expected_error_code]
self.run_test(ol, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_in_plane_kf_angle, expected_out_plane_kf_angle, expected_omega, expected_error_code, **pars)
def test_qangle_GC_OC(self):
# Geometry constraints, no omega constraints, all parameters are arrays
test_case8 = array([[10, 0, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0, 1, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, -1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0, -1, 0, 1, -0.72, 0, 0.12, 19, 0, -80.5, 0, 39.5, 0],
[10, 0, 1, 1, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0.2, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 0.02, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 5, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, -5, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 5, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 1, -0.01, -0.18, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 1, 0, -0.6, 1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 0, 1, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, -1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 0, -1, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 1, 1, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 0.2, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 0.02, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 5, 1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, -5, 1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[10, 0, 5, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 4],
[20, 0, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 8, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2],
[10, 20, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2]])
a=10
b=10
c=10
alpha=90
beta=90
gamma=120
u=[1,0,0]
v=[0,1,0]
ol=OrientedLattice(a, b, c, alpha, beta, gamma)
ol.setUFromVectors(u,v)
(Ei, DE, H, K, L, sign, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_kf_angle,
expected_out_plane_kf_angle, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_omega, expected_error_code) = test_case8.T
HKL = vstack([H,K,L]).T
pars = {'Ei': Ei, 'hkl': HKL, 'DeltaE': DE, 'sign': sign, 'detector_constraints': True, 'horizontal_extent': [5.,65.],
'vertical_extent': [-7.5, 7.5], 'horizontal_extent_low': [-1,1.], 'vertical_extent_low': [-1.,1.],
'goniometer_constraints': True, 'goniometer_range': [-20., 50]}
expected_error_code = [ErrorCodes(ec) for ec in expected_error_code]
self.run_test(ol, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_in_plane_kf_angle, expected_out_plane_kf_angle, expected_omega, expected_error_code, **pars)
def test_qangle_NoGC_OC(self):
# Geometry constraints, no omega constraints, all parameters are arrays
test_case7 = array([[10, 0, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0, 1, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, -1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0, -1, 0, 1, -0.72, 0, 0.12, 19, 0, -80.5, 0, 39.5, 0],
[10, 0, 1, 1, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0.2, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0.02, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 5, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, -5, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 5, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 1, -0.01, -0.18, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 1, 0, -0.6, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0, 1, 0, -1, 0.72, 0, 0.12, -19, 0, 80.5, 0, 20.5, 0],
[10, 0, -1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0, -1, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 1, 1, 0, -1, 1.2, 0, 0.36, -33.2, 0, 73.4, 0, 43.4, 0],
[10, 0, 0.2, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 0.02, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 5, 1, 0, 0, -1, 0.28, 0, 0.67, -10.4, 0, 22.8, 0, 22.8, 0],
[10, -5, 1, 0, 0, -1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 5, 0, 0, -1, 2.05, 0, 3, -111.3, 0, 34.4, 0, 34.3, 0],
[20, 0, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 6],
[10, 0, 8, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2],
[10, 20, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2]])
a=10
b=10
c=10
alpha=90
beta=90
gamma=120
u=[1,0,0]
v=[0,1,0]
ol=OrientedLattice(a, b, c, alpha, beta, gamma)
ol.setUFromVectors(u,v)
(Ei, DE, H, K, L, sign, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_kf_angle,
expected_out_plane_kf_angle, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_omega, expected_error_code) = test_case7.T
HKL = vstack([H,K,L]).T
pars = {'Ei': Ei, 'hkl': HKL, 'DeltaE': DE, 'sign': sign, 'goniometer_constraints': True, 'goniometer_range': [-20., 50]}
expected_error_code = [ErrorCodes(ec) for ec in expected_error_code]
self.run_test(ol, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_in_plane_kf_angle, expected_out_plane_kf_angle, expected_omega, expected_error_code, **pars)
def test_qangle_NoGC_NoOC_newOL(self):
# No geometry constraints, no omega constraints, all parameters are arrays
test_case9 = array([[10, 0, 1, 0, 0, 1, -2.02, 0, 1.33, 66.8, 0, -56.6, 0, -56.6, 0],
[10, 0, 0, 1, 0, 1, -1.01, 0, 0.24, 27.3, 0, -76.4, 0, -136.4, 0],
[10, 0, -1, 0, 0, 1, -2.02, 0, 1.33, 66.8, 0, -56.6, 0, 123.4, 0],
[10, 0, 0, -1, 0, 1, -1.01, 0, 0.24, 27.3, 0, -76.4, 0, 43.6, 0],
[10, 0, 1, 1, 0, 1, -2.2, 0, 2.15, 88.7, 0, -45.7, 0, -62.7, 0],
[10, 0, 0.2, 0, 0, 1, -0.48, 0, 0.05, 12.6, 0, -83.7, 0, -83.7, 0],
[10, 0, 0.02, 0, 0, 1, -0.04984, 0, 0.00057, 1.3, 0, -89.4, 0, -89.4, 0],
[10, 5, 1, 0, 0, 1, -1.52, 0, 1.88, 78.2, 0, -39, 0, -39, 0],
[10, -5, 1, 0, 0, 1, -2.29, 0, 0.78, 58.3, 0, -71.1, 0, -71.1, 0],
[10, 0, 1.5, 0, 0, 1, -2.05, 0, 3, 111.3, 0, -34.4, 0, -34.3, 0],
[10, 0, 1, 0, -0.2, 1, -2.02, -0.13, 1.33, 66.8, 3.3, -56.5, -3, -56.6, 0],
[10, 0, 1, 0, -0.6, 1, -1.99, -0.38, 1.36, 67.4, 10, -55.7, -9, -55.7, 0], #Qz
[10, 0, 1, 0, 0, -1, 2.02, 0, 1.33, -66.8, 0, 56.6, 0, 56.6, 0],
[10, 0, 0, 1, 0, -1, 1.01, 0, 0.24, -27.3, 0, 76.4, 0, 16.4, 0],
[10, 0, -1, 0, 0, -1, 2.02, 0, 1.33, -66.8, 0, 56.6, 0, -123.4, 0],
[10, 0, 0, -1, 0, -1, 1.01, 0, 0.24, -27.3, 0, 76.4, 0, -163.6, 0],
[10, 0, 1, 1, 0, -1, 2.2, 0, 2.15, -88.7, 0, 45.7, 0, 28.7, 0],
[10, 0, 0.2, 0, 0, -1, 0.48, 0, 0.05, -12.6, 0, 83.7, 0, 83.7, 0],
[10, 0, 0.02, 0, 0, -1, 0.04984, 0, 0.00057, -1.3, 0, 89.4, 0, 89.4, 0],
[10, 5, 1, 0, 0, -1, 1.52, 0, 1.88, -78.2, 0, 39, 0, 39, 0],
[10, -5, 1, 0, 0, -1, 2.29, 0, 0.78, -58.3, 0, 71.1, 0, 71.1, 0],
[20, 0, 1, 0, 0, 1, -2.23, 0, 0.94, 45.8, 0, -67.1, 0, -67.1, 0],
[10, 0, 8, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2],
[10, 20, 1, 0, 0, 1, nan, nan, nan, nan, nan, nan, nan, nan, 2]])
a=3
b=7
c=10
alpha=90
beta=90
gamma=120
u=[1,0,0]
v=[0,1,0]
ol=OrientedLattice(a, b, c, alpha, beta, gamma)
ol.setUFromVectors(u,v)
(Ei, DE, H, K, L, sign, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_kf_angle,
expected_out_plane_kf_angle, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_omega, expected_error_code) = test_case9.T
HKL = vstack([H,K,L]).T
pars = {'Ei': Ei, 'hkl': HKL, 'DeltaE': DE, 'sign': sign}
expected_error_code = [ErrorCodes(ec) for ec in expected_error_code]
self.run_test(ol, expected_Qx, expected_Qy, expected_Qz, expected_in_plane_Q_angle, expected_out_plane_Q_angle,
expected_in_plane_kf_angle, expected_out_plane_kf_angle, expected_omega, expected_error_code, **pars)