def setup_method(self):
self._geometry = SixCircle()
self.reflist = ReflectionList(self._geometry,
['a', 'd', 'g', 'o', 'c', 'p'])
self.time = datetime.now()
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
self.reflist.add_reflection(1, 2, 3, pos, 1000, "ref1", self.time)
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
self.reflist.add_reflection(1.1, 2.2, 3.3, pos, 1100, "ref2",
self.time)
def setup_method(self):
self._geometry = SixCircle()
self.orientlist = OrientationList(self._geometry,
['a', 'd', 'g', 'o', 'c', 'p'])
self.time = datetime.now()
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
self.orientlist.add_orientation(1, 2, 3, 0.1, 0.2, 0.3, pos, "orient1",
self.time)
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
self.orientlist.add_orientation(1.1, 2.2, 3.3, 0.11, 0.12, 0.13, pos,
"orient2", self.time)
def testSwapReflection(self):
self.reflist.swap_reflections(1, 2)
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
assert (self.reflist.getReflection(1) == ([1.1, 2.2, 3.3], pos, 1100,
"ref2", self.time))
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
assert (self.reflist.getReflection(2) == ([1, 2, 3], pos, 1000, "ref1",
self.time))
self.reflist.swap_reflections("ref1", "ref2")
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
assert (self.reflist.getReflection(2) == ([1.1, 2.2, 3.3], pos, 1100,
"ref2", self.time))
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
assert (self.reflist.getReflection(1) == ([1, 2, 3], pos, 1000, "ref1",
self.time))
def testGetOrientation(self):
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
answered = self.orientlist.getOrientation(1)
desired = ([1, 2, 3], [0.1, 0.2, 0.3], pos, "orient1", self.time)
assert answered == desired
answered = self.orientlist.getOrientation("orient1")
assert answered == desired
def testGetReflection(self):
answered = self.reflist.getReflection(1)
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
desired = ([1, 2, 3], pos, 1000, "ref1", self.time)
assert answered == desired
answered = self.reflist.getReflection('ref1')
assert answered == desired
def testRemoveReflection(self):
self.reflist.removeReflection(1)
answered = self.reflist.getReflection(1)
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
desired = ([1.1, 2.2, 3.3], pos, 1100, "ref2", self.time)
assert answered == desired
self.reflist.removeReflection("ref2")
assert self.reflist._reflist == []
def makes_cases(self, zrot, yrot):
self.zrot = zrot
self.yrot = yrot
self.wavelength = 1
self.cases = (
Pair(
'100', (1, 0, 0),
Pos(mu=30,
delta=0,
nu=60,
eta=0,
chi=90 + self.yrot,
phi=-180 + self.zrot)),
Pair(
'100-->001', (cos(4 * TORAD), 0, sin(4 * TORAD)),
Pos(mu=30,
delta=0,
nu=60,
eta=0,
chi=90 - 4 + self.yrot,
phi=-180 + self.zrot)),
Pair(
'010', (0, 1, 0),
Pos(mu=30, delta=0, nu=60, eta=0, chi=90,
phi=-90 + self.zrot)), # no yrot as chi||q
Pair(
'001', (0, 0, 1),
Pos(mu=30,
delta=0,
nu=60,
eta=0,
chi=0 - self.yrot,
phi=0 + self.zrot)),
Pair(
'001-->100', (cos(86 * TORAD), 0, sin(86 * TORAD)),
Pos(mu=30,
delta=0,
nu=60,
eta=0,
chi=0 - 4 - self.yrot,
phi=0 + self.zrot)),
)
self.case_dict = {}
for case in self.cases:
self.case_dict[case.name] = case
def testRemoveOrientation(self):
self.orientlist.removeOrientation(1)
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
answered = self.orientlist.getOrientation(1)
desired = ([1.1, 2.2, 3.3], [0.11, 0.12,
0.13], pos, "orient2", self.time)
assert answered == desired
self.orientlist.removeOrientation("orient2")
assert self.orientlist._orientlist == []
def testedit_reflection(self):
ps = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
self.reflist.edit_reflection(1, 10, 20, 30, ps, 1000, "new1",
self.time)
assert (self.reflist.getReflection(1) == ([10, 20, 30], ps, 1000,
"new1", self.time))
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
assert (self.reflist.getReflection(2) == ([1.1, 2.2, 3.3], pos, 1100,
"ref2", self.time))
self.reflist.edit_reflection("ref2", 1.1, 2.2, 3.3, pos, 1100, "new2",
self.time)
assert (self.reflist.getReflection("new2") == ([1.1, 2.2,
3.3], pos, 1100,
"new2", self.time))
self.reflist.edit_reflection("new2", 10, 20, 30, pos, 1100, "new1",
self.time)
assert (self.reflist.getReflection("new1") == ([10, 20, 30], ps, 1000,
"new1", self.time))
def testHkl100(self):
hkl = (1, 0, 0)
pos = Pos(mu=0,
delta=89.42926563609406,
nu=0,
eta=134.71463281804702,
chi=90,
phi=-90)
self._check_angles_to_hkl('100', 999, 999, hkl, pos, self.wavelength,
{})
self._check_hkl_to_angles('100', 999, 999, hkl, pos, self.wavelength,
{})
def testHkl101(self):
hkl = (1, 0, 1)
pos = Pos(mu=0,
delta=98.74666191021282,
nu=0,
eta=117.347760720783,
chi=90,
phi=-90)
self._check_angles_to_hkl('101', 999, 999, hkl, pos, self.wavelength,
{})
self._check_hkl_to_angles('101', 999, 999, hkl, pos, self.wavelength,
{})
def testSwapOrientation(self):
self.orientlist.swap_orientations(1, 2)
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
assert (self.orientlist.getOrientation(1) == ([1.1, 2.2, 3.3],
[0.11, 0.12, 0.13], pos,
"orient2", self.time))
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
assert (self.orientlist.getOrientation(2) == ([1, 2,
3], [0.1, 0.2,
0.3], pos,
"orient1", self.time))
self.orientlist.swap_orientations("orient1", "orient2")
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
assert (self.orientlist.getOrientation(2) == ([1.1, 2.2, 3.3],
[0.11, 0.12, 0.13], pos,
"orient2", self.time))
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
assert (self.orientlist.getOrientation(1) == ([1, 2,
3], [0.1, 0.2,
0.3], pos,
"orient1", self.time))
def testHkl001(self):
hkl = (0, 0, 1)
pos = Pos(mu=0,
delta=33.07329403295449,
nu=0,
eta=16.536647016477247,
chi=90,
phi=-90)
self._check_angles_to_hkl('001', 999, 999, hkl, pos, self.wavelength,
{})
self._check_hkl_to_angles('001', 999, 999, hkl, pos, self.wavelength,
{})
def testedit_orientation(self):
ps = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
self.orientlist.edit_orientation(1, 10, 20, 30, 1, 2, 3, ps, "new1",
self.time)
assert (self.orientlist.getOrientation(1) == ([10, 20, 30], [1, 2, 3],
ps, "new1", self.time))
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
assert (self.orientlist.getOrientation(2) == ([1.1, 2.2, 3.3],
[0.11, 0.12, 0.13], pos,
"orient2", self.time))
self.orientlist.edit_orientation("orient2", 1.1, 2.2, 3.3, 1.11, 1.12,
1.13, pos, "new2", self.time)
assert (self.orientlist.getOrientation("new2") == ([1.1, 2.2, 3.3],
[1.11, 1.12,
1.13], pos, "new2",
self.time))
self.orientlist.edit_orientation("new2", 1.1, 2.2, 3.3, 1.11, 1.12,
1.13, pos, "new1", self.time)
assert (self.orientlist.getOrientation("new1") == ([10, 20,
30], [1, 2, 3], ps,
"new1", self.time))
def makes_cases(self, zrot, yrot):
del zrot, yrot # not used
self.wavelength = 1.24
self.cases = (
Pair(
'7_9_13', (0.7, 0.9, 1.3),
Pos(mu=0,
delta=27.352179,
nu=0,
eta=13.676090,
chi=37.774500,
phi=53.965500)),
Pair(
'100', (1, 0, 0),
Pos(mu=0,
delta=18.580230,
nu=0,
eta=9.290115,
chi=-2.403500,
phi=3.589000)),
Pair(
'010', (0, 1, 0),
Pos(mu=0,
delta=18.580230,
nu=0,
eta=9.290115,
chi=0.516000,
phi=93.567000)),
Pair(
'110', (1, 1, 0),
Pos(mu=0,
delta=26.394192,
nu=0,
eta=13.197096,
chi=-1.334500,
phi=48.602000)),
)
self.case_dict = {}
for case in self.cases:
self.case_dict[case.name] = case
def makes_cases(self, zrot, yrot):
self.zrot = zrot
self.yrot = yrot
self.wavelength = 1
self.cases = (
Pair(
'100', (1, 0, 0),
Pos(mu=0,
delta=60,
nu=0,
eta=30,
chi=0 - self.yrot,
phi=0 + self.zrot)),
Pair(
'100-->001',
(cos(4 * TORAD), 0, sin(4 * TORAD)),
Pos(mu=0,
delta=60,
nu=0,
eta=30,
chi=4 - self.yrot,
phi=0 + self.zrot),
),
Pair('010', (0, 1, 0),
Pos(mu=0, delta=60, nu=0, eta=30, chi=0, phi=90 + self.zrot)),
Pair(
'001', (0, 0, 1),
Pos(mu=0,
delta=60,
nu=0,
eta=30,
chi=90 - self.yrot,
phi=0 + self.zrot)),
Pair(
'0.1 0 1.5',
(0.1, 0, 1.5), # cover case where delta > 90 !
Pos(mu=0,
delta=97.46959231642,
nu=0,
eta=97.46959231642 / 2,
chi=86.18592516571 - self.yrot,
phi=0 + self.zrot)),
Pair(
'001-->100', (cos(86 * TORAD), 0, sin(86 * TORAD)),
Pos(mu=0,
delta=60,
nu=0,
eta=30,
chi=86 - self.yrot,
phi=0 + self.zrot)),
)
self.case_dict = {}
for case in self.cases:
self.case_dict[case.name] = case
def test_add_orientation(self):
assert len(self.orientlist) == 2
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 'DEG')
self.orientlist.add_orientation(10, 20, 30, 0.1, 0.2, 0.3, pos,
"orient1", self.time)
def test_add_reflection(self):
assert len(self.reflist) == 2
pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66, 'DEG')
self.reflist.add_reflection(11.1, 12.2, 13.3, pos, 1100, "ref2",
self.time)
