def testNearlyEquals(self):
pos1 = VliegPosition(1, 2, 3, 4, 5, 6)
pos2 = VliegPosition(1.1, 2.1, 3.1, 4.1, 5.1, 6.1)
assert pos1.nearlyEquals(pos2, 0.11)
assert not pos1.nearlyEquals(pos2, 0.1)
def _hklToAnglesFourAndFiveCirclesModes(self, h, k, l, wavelength):
"""
Return VliegPosition and virtual angles in radians from h, k & l and
wavelength in Angstrom for four and five circle modes. The virtual
angles are those fixed or generated while calculating the position:
Bin, Bout, 2theta and azimuth.
"""
# Results in radians during calculations, returned in degreess
pos = VliegPosition(None, None, None, None, None, None)
# Normalise hkl
wavevector = 2 * pi / wavelength
hklNorm = matrix([[h], [k], [l]]) / wavevector
# Compute hkl in phi axis coordinate frame
hklPhiNorm = self._getUBMatrix() * hklNorm
# Determine Bin and Bout
if self._getMode().name == '4cPhi':
Bin = Bout = None
else:
Bin, Bout = self._determineBinAndBoutInFourAndFiveCirclesModes(
hklNorm)
# Determine alpha and gamma
if self._getMode().group == 'fourc':
pos.alpha, pos.gamma = \
self._determineAlphaAndGammaForFourCircleModes(hklPhiNorm)
else:
pos.alpha, pos.gamma = \
self._determineAlphaAndGammaForFiveCircleModes(Bin, hklPhiNorm)
if pos.alpha < -pi:
pos.alpha += 2 * pi
if pos.alpha > pi:
pos.alpha -= 2 * pi
# Determine delta
(pos.delta, twotheta) = self._determineDelta(hklPhiNorm, pos.alpha,
pos.gamma)
# Determine omega, chi & phi
pos.omega, pos.chi, pos.phi, psi = \
self._determineSampleAnglesInFourAndFiveCircleModes(
hklPhiNorm, pos.alpha, pos.delta, pos.gamma, Bin)
# (psi will be None in fixed phi mode)
# Ensure that by default omega is between -90 and 90, by possibly
# transforming the sample angles
if self._getMode().name != '4cPhi': # not in fixed-phi mode
if pos.omega < -pi / 2 or pos.omega > pi / 2:
pos = transformC.transform(pos)
# Gather up the virtual angles calculated along the way...
# -pi<psi<=pi
if psi is not None:
if psi > pi:
psi -= 2 * pi
if psi < (-1 * pi):
psi += 2 * pi
v = {'2theta': twotheta, 'Bin': Bin, 'Bout': Bout, 'azimuth': psi}
return pos, v