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# This file is part of xrayutilities.
#
# xrayutilities is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program; if not, see <http://www.gnu.org/licenses/>.
#
# Copyright (C) 2013-2020 Dominik Kriegner <dominik.kriegner@gmail.com>
import unittest
import numpy
import xrayutilities as xu
class TestQConversion(unittest.TestCase):
@classmethod
def setUpClass(cls):
cls.mat = xu.materials.Si
cls.hxrd = xu.HXRD(cls.mat.Q(1, 1, 0), cls.mat.Q(0, 0, 1))
cls.nch = 9
cls.ncch = 4
cls.hxrd.Ang2Q.init_linear("z+", cls.ncch, cls.nch, 1.0, 50e-6, 0.0)
cls.hklsym = (0, 0, 4)
cls.hklasym = (2, 2, 4)
def test_qconversion_linear(self):
ang = self.hxrd.Q2Ang(self.mat.Q(self.hklsym))
qout = self.hxrd.Ang2HKL(
ang[0], ang[3], mat=self.mat, dettype="linear"
)
self.assertEqual(qout[0].size, self.nch)
for i in range(3):
q = qout[i]
self.assertAlmostEqual(numpy.average(q), self.hklsym[i], places=6)
def test_qconversion_linear_asym(self):
ang = self.hxrd.Q2Ang(self.mat.Q(self.hklasym))
qout = self.hxrd.Ang2HKL(
ang[0], ang[3], mat=self.mat, dettype="linear"
)
self.assertEqual(qout[0].size, self.nch)
for i in range(3):
q = qout[i]
self.assertAlmostEqual(numpy.average(q), self.hklasym[i], places=6)
def test_qconversion_linear_energy(self):
ang1 = self.hxrd.Q2Ang(self.mat.Q(self.hklsym))
ang2 = self.hxrd.Q2Ang(self.mat.Q(self.hklsym) / 2.0)
qout = self.hxrd.Ang2HKL(
(ang1[0], ang2[0]),
(ang1[3], ang2[3]),
en=(self.hxrd.energy, 2 * self.hxrd.energy),
mat=self.mat,
dettype="linear",
)
for i in range(3):
q = qout[i]
self.assertAlmostEqual(q[0, self.ncch], self.hklsym[i], places=10)
self.assertAlmostEqual(q[1, self.ncch], self.hklsym[i], places=10)
def test_qconversion_linear_detpos(self):
tt = numpy.random.rand() * 90
dpos = self.hxrd.Ang2Q.getDetectorPos(tt, dim=1)
ki = (
self.hxrd._A2QConversion.r_i
/ numpy.linalg.norm(self.hxrd._A2QConversion.r_i)
* self.hxrd.k0
)
qout = self.hxrd.Ang2Q.linear(0, tt)
for j, x, y, z in zip(range(self.nch), dpos[0], dpos[1], dpos[2]):
vpos = numpy.asarray((x, y, z))
kf = vpos / numpy.linalg.norm(vpos) * self.hxrd.k0
for i in range(3):
self.assertAlmostEqual(qout[i][j], kf[i] - ki[i], places=10)
if __name__ == "__main__":
unittest.main()
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