def runTest(self):
HelperTestingClass.__init__(self)
limits = (-10.0, 10.0, -9.0, 9.0)
ws_nonrotho = CreateMDWorkspace(
Dimensions=3,
Extents=','.join([str(lim) for lim in limits]) + ',-8,8',
Names='A,B,C',
Units='r.l.u.,r.l.u.,r.l.u.',
Frames='HKL,HKL,HKL')
expt_info_nonortho = CreateSampleWorkspace()
ws_nonrotho.addExperimentInfo(expt_info_nonortho)
SetUB(ws_nonrotho, 1, 1, 2, 90, 90, 120)
pres = SliceViewer(ws_nonrotho)
# assert limits of orthog
limits_orthog = pres.view.data_view.get_axes_limits()
self.assertEqual(limits_orthog[0], limits[0:2])
self.assertEqual(limits_orthog[1], limits[2:])
# set nonorthog view and retrieve new limits
pres.nonorthogonal_axes(True)
limits_nonorthog = pres.view.data_view.get_axes_limits()
self.assertAlmostEqual(limits_nonorthog[0][0], -19, delta=1e-5)
self.assertAlmostEqual(limits_nonorthog[0][1], 19, delta=1e-5)
self.assertEqual(limits_nonorthog[1], limits[2:])
pres.view.close()
def test_model_MD(self):
ws1 = LoadEventNexus("CNCS_7860", MetaDataOnly=True)
ws2 = LoadEventNexus("VIS_19351", MetaDataOnly=True)
md = CreateMDWorkspace(Dimensions=1, Extents='-1,1', Names='A', Units='U')
md.addExperimentInfo(ws1)
md.addExperimentInfo(ws2)
model = SampleLogsModel(md)
self.assertEqual(model.get_exp(), 0)
self.assertEqual(model.get_name(), 'md')
self.assertEqual(model.getNumExperimentInfo(), 2)
values = model.get_log_display_values("duration")
self.assertEqual(values[0], "duration")
self.assertEqual(values[1], "number")
self.assertEqual(values[2], 148.0)
self.assertEqual(values[3], "second")
# Change exp
model.set_exp(1)
self.assertEqual(model.get_exp(), 1)
values = model.get_log_display_values("duration")
self.assertEqual(values[0], "duration")
self.assertEqual(values[1], "number")
self.assertEqual(values[2], 4.616606712341309)
self.assertEqual(values[3], "second")
def test_model_MD(self):
ws1 = Load("ILL/D22/192068.nxs")
ws2 = Load("ENGINX00228061")
md = CreateMDWorkspace(Dimensions=1,
Extents='-1,1',
Names='A',
Units='U')
md.addExperimentInfo(ws1)
md.addExperimentInfo(ws2)
model = SampleLogsModel(md)
self.assertEqual(model.get_exp(), 0)
self.assertEqual(model.get_name(), 'md')
self.assertEqual(model.getNumExperimentInfo(), 2)
values = model.get_log_display_values("duration")
self.assertEqual(values[0], "duration")
self.assertEqual(values[1], "number")
self.assertEqual(values[2], "120.0")
self.assertEqual(values[3], "Sec")
# Change exp
model.set_exp(1)
self.assertEqual(model.get_exp(), 1)
values = model.get_log_display_values("rb_proposal")
self.assertEqual(values[0], "rb_proposal")
self.assertEqual(values[1], "number")
self.assertEqual(values[2], "1455001")
self.assertEqual(values[3], "")
def test_model_MD(self):
ws1 = LoadEventNexus("CNCS_7860", MetaDataOnly=True)
ws2 = LoadEventNexus("VIS_19351", MetaDataOnly=True)
md = CreateMDWorkspace(Dimensions=1,
Extents='-1,1',
Names='A',
Units='U')
md.addExperimentInfo(ws1)
md.addExperimentInfo(ws2)
model = SampleLogsModel(md)
self.assertEqual(model.get_exp(), 0)
self.assertEqual(model.get_name(), 'md')
self.assertEqual(model.getNumExperimentInfo(), 2)
values = model.get_log_display_values("duration")
self.assertEqual(values[0], "duration")
self.assertEqual(values[1], "number")
self.assertEqual(values[2], 148.0)
self.assertEqual(values[3], "second")
# Change exp
model.set_exp(1)
self.assertEqual(model.get_exp(), 1)
values = model.get_log_display_values("duration")
self.assertEqual(values[0], "duration")
self.assertEqual(values[1], "number")
self.assertEqual(values[2], 4.616606712341309)
self.assertEqual(values[3], "second")
def create_hkl_ws():
hkl_ws = CreateMDWorkspace(Dimensions=3,
Extents='-10,10,-9,9,-8,8',
Names='A,B,C',
Units='r.l.u.,r.l.u.,r.l.u.',
Frames='HKL,HKL,HKL',
OutputWorkspace='hkl_ws')
expt_info = CreateSampleWorkspace()
hkl_ws.addExperimentInfo(expt_info)
SetUB(hkl_ws, 1, 1, 1, 90, 90, 90)
return hkl_ws
def runTest(self):
HelperTestingClass.__init__(self)
ws_4D = CreateMDWorkspace(Dimensions=4, Extents=[-1, 1, -1, 1, -1, 1, -1, 1], Names="E,H,K,L",
Frames='General Frame,HKL,HKL,HKL', Units='meV,r.l.u.,r.l.u.,r.l.u.')
expt_info_4D = CreateSampleWorkspace()
ws_4D.addExperimentInfo(expt_info_4D)
SetUB(ws_4D, 1, 1, 2, 90, 90, 120)
pres = SliceViewer(ws_4D)
self._qapp.sendPostedEvents()
non_ortho_action = toolbar_actions(pres, [ToolItemText.NONORTHOGONAL_AXES])[0]
self.assertFalse(non_ortho_action.isEnabled())
pres.view.close()
def runTest(self):
HelperTestingClass.__init__(self)
ws_non_ortho = CreateMDWorkspace(Dimensions='3', Extents='-6,6,-4,4,-0.5,0.5',
Names='H,K,L', Units='r.l.u.,r.l.u.,r.l.u.',
Frames='HKL,HKL,HKL',
SplitInto='2', SplitThreshold='50')
expt_info_nonortho = CreateSampleWorkspace()
ws_non_ortho.addExperimentInfo(expt_info_nonortho)
SetUB(ws_non_ortho, 1, 1, 2, 90, 90, 120)
pres = SliceViewer(ws_non_ortho)
ClearUB(ws_non_ortho)
self._qapp.sendPostedEvents()
self.assert_no_toplevel_widgets()
self.assertEqual(pres.ads_observer, None)
def runTest(self):
# Na Mn Cl3
# R -3 H (148)
# 6.592 6.592 18.585177 90 90 120
# UB/wavelength from /HFIR/HB3A/IPTS-25470/shared/autoreduce/HB3A_exp0769_scan0040.nxs
ub = np.array([[1.20297e-01, 1.70416e-01, 1.43000e-04],
[8.16000e-04, -8.16000e-04, 5.38040e-02],
[1.27324e-01, -4.05110e-02, -4.81000e-04]])
wavelength = 1.553
# create fake MDEventWorkspace, similar to what is expected from exp769 after loading with HB3AAdjustSampleNorm
MD_Q_sample = CreateMDWorkspace(
Dimensions='3',
Extents='-5,5,-5,5,-5,5',
Names='Q_sample_x,Q_sample_y,Q_sample_z',
Units='rlu,rlu,rlu',
Frames='QSample,QSample,QSample')
inst = LoadEmptyInstrument(InstrumentName='HB3A')
AddTimeSeriesLog(inst, 'omega', '2010-01-01T00:00:00', 0.)
AddTimeSeriesLog(inst, 'phi', '2010-01-01T00:00:00', 0.)
AddTimeSeriesLog(inst, 'chi', '2010-01-01T00:00:00', 0.)
MD_Q_sample.addExperimentInfo(inst)
SetUB(MD_Q_sample, UB=ub)
ol = OrientedLattice()
ol.setUB(ub)
sg = SpaceGroupFactory.createSpaceGroup("R -3")
hkl = []
sat_hkl = []
for h in range(0, 6):
for k in range(0, 6):
for l in range(0, 11):
if sg.isAllowedReflection([h, k, l]):
if h == k == l == 0:
continue
q = V3D(h, k, l)
q_sample = ol.qFromHKL(q)
if not np.any(np.array(q_sample) > 5):
hkl.append(q)
FakeMDEventData(
MD_Q_sample,
PeakParams='1000,{},{},{},0.05'.format(
*q_sample))
# satellite peaks at 0,0,+1.5
q = V3D(h, k, l + 1.5)
q_sample = ol.qFromHKL(q)
if not np.any(np.array(q_sample) > 5):
sat_hkl.append(q)
FakeMDEventData(
MD_Q_sample,
PeakParams='100,{},{},{},0.02'.format(
*q_sample))
# satellite peaks at 0,0,-1.5
q = V3D(h, k, l - 1.5)
q_sample = ol.qFromHKL(q)
if not np.any(np.array(q_sample) > 5):
sat_hkl.append(q)
FakeMDEventData(
MD_Q_sample,
PeakParams='100,{},{},{},0.02'.format(
*q_sample))
# Check that this fake workpsace gives us the expected UB
peaks = FindPeaksMD(MD_Q_sample,
PeakDistanceThreshold=1,
OutputType='LeanElasticPeak')
FindUBUsingFFT(peaks, MinD=5, MaxD=20)
ShowPossibleCells(peaks)
SelectCellOfType(peaks,
CellType='Rhombohedral',
Centering='R',
Apply=True)
OptimizeLatticeForCellType(peaks, CellType='Hexagonal', Apply=True)
found_ol = peaks.sample().getOrientedLattice()
self.assertAlmostEqual(found_ol.a(), 6.592, places=2)
self.assertAlmostEqual(found_ol.b(), 6.592, places=2)
self.assertAlmostEqual(found_ol.c(), 18.585177, places=2)
self.assertAlmostEqual(found_ol.alpha(), 90)
self.assertAlmostEqual(found_ol.beta(), 90)
self.assertAlmostEqual(found_ol.gamma(), 120)
# nuclear peaks
predict = HB3APredictPeaks(
MD_Q_sample,
Wavelength=wavelength,
ReflectionCondition='Rhombohedrally centred, obverse',
SatellitePeaks=True,
IncludeIntegerHKL=True)
predict = HB3AIntegratePeaks(MD_Q_sample, predict, 0.25)
self.assertEqual(predict.getNumberPeaks(), 66)
# check that the found peaks are expected
for n in range(predict.getNumberPeaks()):
HKL = predict.getPeak(n).getHKL()
self.assertTrue(HKL in hkl, msg=f"Peak {n} with HKL={HKL}")
# magnetic peaks
satellites = HB3APredictPeaks(
MD_Q_sample,
Wavelength=wavelength,
ReflectionCondition='Rhombohedrally centred, obverse',
SatellitePeaks=True,
ModVector1='0,0,1.5',
MaxOrder=1,
IncludeIntegerHKL=False)
satellites = HB3AIntegratePeaks(MD_Q_sample, satellites, 0.1)
self.assertEqual(satellites.getNumberPeaks(), 80)
# check that the found peaks are expected
for n in range(satellites.getNumberPeaks()):
HKL = satellites.getPeak(n).getHKL()
self.assertTrue(HKL in sat_hkl, msg=f"Peak {n} with HKL={HKL}")
def test_add_experiment_info(self):
ws1 = CreateSampleWorkspace()
md = CreateMDWorkspace(Dimensions=1, Extents='-1,1', Names='A', Units='U')
md.addExperimentInfo(ws1)