def setup_method(self):
self._geometry = SixCircleGammaOnArmGeometry()
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)
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)
self.reflist.add_reflection(1.1, 2.2, 3.3, pos, 1100, "ref2",
self.time)
def setup_method(self):
self._geometry = SixCircleGammaOnArmGeometry()
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)
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)
self.reflist.add_reflection(1.1, 2.2, 3.3, pos, 1100, "ref2", self.time)
def decode_reflist(reflist_dict, geometry, diffractometer_axes_names, multiplier):
reflections = []
try:
sorted_ref_keys = sorted(reflist_dict.keys(), key=int)
except ValueError:
logger.warning("Warning: Invalid index found in the stored list of reflections. "
"Please check the reflection list order.")
sorted_ref_keys = sorted(reflist_dict.keys())
for key in sorted_ref_keys:
reflections.append(decode_reflection(reflist_dict[key], geometry))
return ReflectionList(geometry, diffractometer_axes_names, reflections, multiplier)
def _clear(self, name=None):
# NOTE the Diffraction calculator is expecting this object to exist in
# the long run. We can't remove this entire object, and recreate it.
# It also contains a required link to the angle calculator.
reflist = ReflectionList(self._geometry,
self._get_diffractometer_axes_names())
reference = YouReference(self._get_UB)
self._state = UBCalcState(name=name,
reflist=reflist,
reference=reference)
self._U = None
self._UB = None
self._state.configure_calc_type()
def _clear(self, name=None):
# NOTE the Diffraction calculator is expecting this object to exist in
# the long run. We can't remove this entire object, and recreate it.
# It also contains a required link to the angle calculator.
reflist = ReflectionList(
settings.geometry,
self._get_diffractometer_axes_names(),
multiplier=settings.hardware.energyScannableMultiplierToGetKeV)
orientlist = OrientationList(settings.geometry,
self._get_diffractometer_axes_names())
reference = YouReference(self._get_UB)
reference._set_n_hkl_configured(settings.reference_vector)
surface = YouReference(self._get_UB)
surface._set_n_phi_configured(settings.surface_vector)
self._state = UBCalcState(name=name,
reflist=reflist,
orientlist=orientlist,
reference=reference,
surface=surface)
self._U = None
self._UB = None
self._state.configure_calc_type()
class TestReflectionList(object):
def setup_method(self):
self._geometry = SixCircleGammaOnArmGeometry()
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)
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)
self.reflist.add_reflection(1.1, 2.2, 3.3, pos, 1100, "ref2", self.time)
def test_add_reflection(self):
assert len(self.reflist) == 2
def testGetReflection(self):
answered = self.reflist.getReflection(1)
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6)
desired = ([1, 2, 3], pos, 1000, "ref1", self.time)
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)
desired = ([1.1, 2.2, 3.3], pos, 1100, "ref2", self.time)
assert answered == desired
def testedit_reflection(self):
ps = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6)
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)
assert (self.reflist.getReflection(2)
== ([1.1, 2.2, 3.3], pos, 1100, "ref2", 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)
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)
assert (self.reflist.getReflection(2)
== ([1, 2, 3], pos, 1000, "ref1", self.time))
def createRefStateDicts(self):
ref_0 = {
'h': 1,
'k': 2,
'l': 3,
'position': (0.1, 0.2, 0.3, 0.4, 0.5, 0.6),
'energy': 1000,
'tag': "ref1",
'time': repr(self.time)
}
ref_1 = {
'h': 1.1,
'k': 2.2,
'l': 3.3,
'position': (0.11, 0.22, 0.33, 0.44, 0.55, 0.66),
'energy': 1100,
'tag': "ref2",
'time': repr(self.time)
}
return ref_0, ref_1
def decode_reflist(reflist_dict, geometry, diffractometer_axes_names):
reflections = []
for key in sorted(reflist_dict.keys()):
reflections.append(decode_reflection(reflist_dict[key], geometry))
return ReflectionList(geometry, diffractometer_axes_names, reflections)
class TestReflectionList(object):
def setup_method(self):
self._geometry = SixCircleGammaOnArmGeometry()
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)
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)
self.reflist.add_reflection(1.1, 2.2, 3.3, pos, 1100, "ref2",
self.time)
def test_add_reflection(self):
assert len(self.reflist) == 2
def testGetReflection(self):
answered = self.reflist.getReflection(1)
pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6)
desired = ([1, 2, 3], pos, 1000, "ref1", self.time)
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)
desired = ([1.1, 2.2, 3.3], pos, 1100, "ref2", self.time)
assert answered == desired
def testedit_reflection(self):
ps = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6)
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)
assert (self.reflist.getReflection(2) == ([1.1, 2.2, 3.3], pos, 1100,
"ref2", 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)
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)
assert (self.reflist.getReflection(2) == ([1, 2, 3], pos, 1000, "ref1",
self.time))
def createRefStateDicts(self):
ref_0 = {
'h': 1,
'k': 2,
'l': 3,
'position': (0.1, 0.2, 0.3, 0.4, 0.5, 0.6),
'energy': 1000,
'tag': "ref1",
'time': repr(self.time)
}
ref_1 = {
'h': 1.1,
'k': 2.2,
'l': 3.3,
'position': (0.11, 0.22, 0.33, 0.44, 0.55, 0.66),
'energy': 1100,
'tag': "ref2",
'time': repr(self.time)
}
return ref_0, ref_1
