def testHkl_2_m5_12_calculated_predicted_with_diffcalc_and_found(self):
willpos = WillPos(delta=5.3109941,
gamma=-10.3716944,
omegah=2,
phi=167.0041454)
self._check((2, -5, 12), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_19_32_calculated_predicted_with_diffcalc_and_found(self):
willpos = WillPos(delta=22.0332862,
gamma=-4.0973643,
omegah=2,
phi=--64.0273584)
self._check((2, 19, 32), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_0_7_22_calculated_predicted_with_diffcalc_and_found(self):
willpos = WillPos(delta=11.2572236,
gamma=-2.9800571,
omegah=2,
phi=-86.5634425)
self._check((0, 7, 22), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_0_7_22_calculated_predicted_with_diffcalc_and_found(self):
willpos = WillPos(delta=11.241801854649,
gamma=-3.038407637123,
omegah=2,
phi=-86.563442502670)
self._check((0, 7, 22), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_m5_12_calculated_predicted_with_diffcalc_and_found(self):
willpos = WillPos(delta=5.223972025344,
gamma=10.415435905622,
omegah=2,
phi=-90 + 88.02751)
self._check((2, -5, 12), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_m5_12_calculated_from_DDIF(self):
raise SkipTest() # diffcalc finds a different soln (with -ve gamma)
self.places = 3
willpos = WillPos(delta=5.224, gamma=10.415, omegah=2, phi=-1.972)
self._check((2, -5, 12),
self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_19_32_calculated_predicted_with_diffcalc_and_found(self):
willpos = WillPos(delta=21.974032376045,
gamma=4.418955754003,
omegah=2,
phi=-33.80254)
self._check((2, 19, 32), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_19_32_calculated_from_DDIF(self):
raise SkipTest() # diffcalc finds a different soln (with -ve gamma)
self.places = 3
willpos = WillPos(delta=21.974, gamma=4.419, omegah=2, phi=-33.803)
self._check((2, 19, 32),
self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_0_7_22_calculated_from_DDIF(self):
self.places = 3
willpos = WillPos(delta=11.241801854649, gamma=-3.038407637123,
omegah=2, phi=-86.56344250267)
self._check((0, 7, 22),
self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_m1_0_16(self):
self.places = 7
pos = WillPos(delta=25.7990976,
gamma=6.2413545,
omegah=2,
phi=-47.4949600)
# pos.phi -= 360
self._check((-1, 0, 16), self._convert_willmott_pos(pos), {'alpha': 2})
def testHkl_0_7_22_calculated_from_DDIF(self):
raise SkipTest() # diffcalc finds a different soln (with -ve gamma)
self.places = 3
willpos = WillPos(delta=11.241801854649, gamma=-3.038407637123,
omegah=2, phi=-3.436557497330)
self._check((0, 7, 22),
self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_m5_12_calculated_from_DDIF(self):
self.places = 3
willpos = WillPos(delta=5.224, gamma=10.415, omegah=2, phi=-1.972)
self._check((2, -5, 12), self._convert_willmott_pos(willpos),
{'alpha': 2})
def testHkl_2_19_32_calculated_from_DDIF(self):
self.places = 3
willpos = WillPos(delta=21.974, gamma=4.419, omegah=2, phi=-33.803)
self._check((2, 19, 32), self._convert_willmott_pos(willpos),
{'alpha': 2})
# skipped because we can't calculate values to check against by hand
pos = YouPos(mu=-90,
delta=90,
nu=0,
eta=0,
chi=90 + 90,
phi=-90,
unit='DEG')
self._check((1, 1, 1), pos, {'alpha': 45, 'beta': 45})
# Primary and secondary reflections found with the help of DDIF on Diamond's
# i07 on Jan 27 2010
HKL0 = 2, 19, 32
REF0 = WillPos(delta=21.975, gamma=4.419, omegah=2, phi=326.2)
HKL1 = 0, 7, 22
REF1 = WillPos(delta=11.292, gamma=2.844, omegah=2, phi=124.1)
WAVELENGTH = 0.6358
ENERGY = 12.39842 / WAVELENGTH
# This is the version that Diffcalc comes up with ( see following test)
U_DIFFCALC = matrix([[-0.7178876, 0.6643924, -0.2078944],
[-0.6559596, -0.5455572, 0.5216170],
[0.2331402, 0.5108327, 0.8274634]])
#class WillmottHorizontalGeometry(VliegGeometry):
#
# def __init__(self):
None,
{'alpha': 30, 'beta': 30}, fails=True)
def testHkl111(self):
raise SkipTest()
# skipped because we can't calculate values to check against by hand
pos = YouPos(mu=-90, delta=90, nu=0, eta=0, chi=90 + 90, phi=-90)
self._check((1, 1, 1), pos, {'alpha': 45, 'beta': 45})
# Primary and secondary reflections found with the help of DDIF on Diamond's
# i07 on Jan 27 2010
HKL0 = 2, 19, 32
REF0 = WillPos(delta=21.975, gamma=4.419, omegah=2, phi=326.2)
HKL1 = 0, 7, 22
REF1 = WillPos(delta=11.292, gamma=2.844, omegah=2, phi=124.1)
WAVELENGTH = 0.6358
ENERGY = 12.39842 / WAVELENGTH
# This is the version that Diffcalc comes up with ( see following test)
U_DIFFCALC = matrix([[-0.7178876, 0.6643924, -0.2078944],
[-0.6559596, -0.5455572, 0.5216170],
[0.2331402, 0.5108327, 0.8274634]])
#class WillmottHorizontalGeometry(VliegGeometry):