def setUpClass(cls):
cls.nch = 9
cls.ncch = 4
cls.nch2d = (9, 13)
cls.ncch1 = 4
cls.ncch2 = 6
# standard 1S+1D goniometer
qconv = xu.QConversion('x+', 'x+', (0, 1, 0))
cls.hxrd = xu.HXRD((1., 1., 0.), (0., 0., 1.), qconv=qconv)
# comparable goniometer with translations
qconv = xu.QConversion('x+', ['ty', 'tz'], (0, 1e-15, 0))
cls.hxrdtrans = xu.HXRD((1., 1., 0.), (0., 0., 1.), qconv=qconv,
sampleor='z+')
cls.hxrdtrans.Ang2Q.init_linear('z+', cls.ncch, cls.nch, 1e-15, 50e-6)
cls.hxrdtrans.Ang2Q.init_area('z+', 'x+', cls.ncch1, cls.ncch2,
cls.nch2d[0], cls.nch2d[1],
1e-15, 50e-6, 50e-6)
cls.angle = numpy.random.rand() * 45
def setUpClass(cls):
cls.mat = xu.materials.GeTe
qconv = xu.QConversion(['x+', 'y+', 'z-'], 'x+', [0, 1, 0])
inp = numpy.cross(cls.mat.Q(1, -1, 0), cls.mat.Q(1, 1, 1))
cls.hxrd = xu.HXRD(inp, cls.mat.Q(1, 1, 1), qconv=qconv)
cls.hkltest = (1, 3, 2)
import os
import numpy
import xrayutilities as xu
Si = xu.materials.Si
datadir = 'data'
specfile = "si_align.spec"
en = 15000 # eV
wl = xu.en2lam(en)
imgdir = os.path.join(datadir, "si_align_") # data path for CCD files
filetmp = "si_align_12_%04d.edf.gz"
qconv = xu.QConversion(['z+', 'y-'], ['z+', 'y-'], [1, 0, 0])
hxrd = xu.HXRD(Si.Q(1, 1, -2), Si.Q(1, 1, 1), wl=wl, qconv=qconv)
# manually selected images
s = xu.io.SPECFile(specfile, path=datadir)
for num in [61, 62, 63, 20, 21, 26, 27, 28]:
s[num].ReadData()
try:
imagenrs = numpy.append(imagenrs, s[num].data['ccd_n'])
except:
imagenrs = s[num].data['ccd_n']
# avoid images which do not have to full beam on the detector as well as
# other which show signal due to cosmic radiation
avoid_images = [37, 57, 62, 63, 65, 87, 99, 106, 110, 111, 126, 130, 175,
return l
latticeConstants = [3.905, 3.905, 3.905]
STO = xu.materials.Material("SrTiO3", Pnma(*latticeConstants))
#%%
# S2-D2 geometry
# start with outermost circle:
# S2: phi, theta
# D2: nu, del
# with beam direction along +z and surface normal along +y
S2 = ('y+', 'x-')
D2 = ('y-', 'x-')
beamDir = (0, 0, 1)
qconv = xu.QConversion(S2, D2, beamDir)
#%%
# Specify in-plane direction [1,0,0] and normal direction [0,0,1] surface normal
hxrd = xu.HXRD(STO.Q(0, 1, 0), STO.Q(0, 0, 1), qconv=qconv)
hxrd.energy = 10000
#%%
hkl = (0, 0, 1)
q_material = STO.Q(hkl)
q_laboratory = hxrd.Transform(q_material) # transform
print('SrTiO3: hkl ', hkl, ' qvec ', np.round(q_material, 5))
print('Lattice plane distance: %.4f' % STO.planeDistance(hkl))
#%%
#### determine the goniometer angles with the correct geometry restrictions
# tell bounds of angles / (min,max) pair or fixed value for all motors