def _check_angles_to_hkl(self, testname, zrot, yrot, hkl_expected, pos,
wavelength, virtual_expected={}):
print ('_check_angles_to_hkl(%s, %.1f, %.1f, %s, %s, %.2f, %s)' %
(testname, zrot, yrot, hkl_expected, pos, wavelength,
virtual_expected))
self.zrot, self.yrot = zrot, yrot
self._configure_ub()
hkl, virtual = self.calc.anglesToHkl(pos, wavelength)
assert_array_almost_equal(hkl, hkl_expected, self.places, note="***Test (not diffcalc!) incorrect*** : the desired settings do not map to the target hkl")
assert_second_dict_almost_in_first(virtual, virtual_expected)
def _check_angles_to_hkl(self, testname, zrot, yrot, hkl_expected, pos,
wavelength, virtual_expected={}):
print ('_check_angles_to_hkl(%s, %.1f, %.1f, %s, %s, %.2f, %s)' %
(testname, zrot, yrot, hkl_expected, pos, wavelength,
virtual_expected))
self.zrot, self.yrot = zrot, yrot
self._configure_ub()
hkl, virtual = self.calc.anglesToHkl(pos, wavelength)
assert_array_almost_equal(hkl, hkl_expected, self.places)
assert_second_dict_almost_in_first(virtual, virtual_expected)
def _check_hkl_to_angles(self, testname, zrot, yrot, hkl, pos_expected,
wavelength, virtual_expected={}):
print ('_check_hkl_to_angles(%s, %.1f, %.1f, %s, %s, %.2f, %s)' %
(testname, zrot, yrot, hkl, pos_expected, wavelength,
virtual_expected))
self.zrot, self.yrot = zrot, yrot
self._configure_ub()
pos, virtual = self.calc.hklToAngles(hkl[0], hkl[1], hkl[2],
wavelength)
assert_array_almost_equal(pos.totuple(), pos_expected.totuple(),
self.places)
assert_second_dict_almost_in_first(virtual, virtual_expected)
def check(self, name, value, theta, tau, psi_e, alpha_e, beta_e, places=7):
# all in deg
alpha, beta = self.calc._calc_remaining_reference_angles(
name, value * TORAD, theta * TORAD, tau * TORAD)
if alpha_e is not None:
assert_almost_equal(alpha * TODEG, alpha_e, places)
if beta_e is not None:
assert_almost_equal(beta * TODEG, beta_e, places)
psi_vals = list(self.calc._calc_psi(alpha, theta * TORAD, tau * TORAD))
if psi_e is not None:
assert_array_almost_equal(sorted([v * TODEG for v in psi_vals]),
sorted(psi_e))
for psi in psi_vals:
print 'psi', psi * TODEG, ' alpha:', alpha * TODEG,\
' beta:', beta * TODEG
def _check_angles_to_hkl(self,
testname,
zrot,
yrot,
hkl_expected,
pos,
wavelength,
virtual_expected={}):
print('_check_angles_to_hkl(%s, %.1f, %.1f, %s, %s, %.2f, %s)' %
(testname, zrot, yrot, hkl_expected, pos, wavelength,
virtual_expected))
self.zrot, self.yrot = zrot, yrot
self._configure_ub()
hkl, virtual = self.calc.anglesToHkl(pos, wavelength)
assert_array_almost_equal(hkl, hkl_expected, self.places)
assert_second_dict_almost_in_first(virtual, virtual_expected)
def _check_hkl_to_angles(self,
testname,
zrot,
yrot,
hkl,
pos_expected,
wavelength,
virtual_expected={}):
print('_check_hkl_to_angles(%s, %.1f, %.1f, %s, %s, %.2f, %s)' %
(testname, zrot, yrot, hkl, pos_expected, wavelength,
virtual_expected))
self.zrot, self.yrot = zrot, yrot
self._configure_ub()
pos, virtual = self.calc.hklToAngles(hkl[0], hkl[1], hkl[2],
wavelength)
assert_array_almost_equal(pos.totuple(), pos_expected.totuple(),
self.places)
assert_second_dict_almost_in_first(virtual, virtual_expected)
def _check_angles_to_hkl(self,
testname,
zrot,
yrot,
hkl_expected,
pos,
wavelength,
virtual_expected={}):
print('_check_angles_to_hkl(%s, %.1f, %.1f, %s, %s, %.2f, %s)' %
(testname, zrot, yrot, hkl_expected, pos, wavelength,
virtual_expected))
self.zrot, self.yrot = zrot, yrot
self._configure_ub()
hkl, virtual = self.calc.anglesToHkl(pos, wavelength)
assert_array_almost_equal(
hkl,
hkl_expected,
self.places,
note=
"***Test (not diffcalc!) incorrect*** : the desired settings do not map to the target hkl"
)
assert_second_dict_almost_in_first(virtual, virtual_expected)
def check(self, name, value, Q_lab, n_lab, Q_phi, n_phi, phi_e, chi_e,
eta_e, mu_e):
mu, eta, chi, phi = zip(*self.calc._calc_remaining_sample_angles(
name, value * TORAD, Q_lab, n_lab, Q_phi, n_phi))
for mu_, eta_, chi_, phi_ in zip(mu, eta, chi, phi):
print 'phi', phi_ * TODEG, ' chi:', chi_ * TODEG, ' eta:', eta_ * TODEG,\
' mu:', mu_ * TODEG
if phi_e is not None:
assert_array_almost_equal([v * TODEG for v in phi], phi_e)
if chi_e is not None:
assert_array_almost_equal([v * TODEG for v in chi], chi_e)
if eta_e is not None:
assert_array_almost_equal([v * TODEG for v in eta], eta_e)
if mu_e is not None:
assert_array_almost_equal([v * TODEG for v in mu], mu_e)
def check(self, name, value, theta, delta_e, nu_e, qaz_e):
# all in deg
delta, nu, qaz = zip(
*self.calc._calc_remaining_detector_angles(name, value *
TORAD, theta * TORAD))
for delta_, nu_, qaz_ in zip(delta, nu, qaz):
print 'delta:', delta_ * TODEG, ' nu:', nu_ * TODEG, ' qaz:', qaz_ * TODEG
assert_array_almost_equal([v * TODEG for v in delta], delta_e)
assert_array_almost_equal([v * TODEG for v in nu], nu_e)
if qaz_e is not None:
assert_array_almost_equal([v * TODEG for v in qaz], qaz_e)
def test_wrong_value(self):
try:
assert_array_almost_equal((3, 2, 1), (3, 2, 1.0000001))
assert False
except AssertionError:
pass
def test_wrong_length(self):
try:
assert_array_almost_equal((1, 2, 3), (1, 2))
assert False
except AssertionError, e:
eq_(e.args[0], '(1, 2, 3) != (1, 2) as lengths differ')
def test__passes(self):
assert_array_almost_equal((1, 2, 3), (1.00000001, 2, 3.))
assert_array_almost_equal((1, 2, 3), (1.0000001, 2, 3.), 6)
assert_array_almost_equal((1, 2, 3), [1, 2, 3])
assert_array_almost_equal((), ())
assert_array_almost_equal([], ())
def test_wrong_value(self):
try:
assert_array_almost_equal((3, 2, 1), (3, 2, 1.0000001))
assert False
except AssertionError:
pass
def test_wrong_length(self):
try:
assert_array_almost_equal((1, 2, 3), (1, 2))
assert False
except AssertionError, e:
eq_(e.args[0], '(1, 2, 3) != (1, 2) as lengths differ')
def test__passes(self):
assert_array_almost_equal((1, 2, 3), (1.00000001, 2, 3.))
assert_array_almost_equal((1, 2, 3), (1.0000001, 2, 3.), 6)
assert_array_almost_equal((1, 2, 3), [1, 2, 3])
assert_array_almost_equal((), ())
assert_array_almost_equal([], ())