class WISHSingleCrystalPeakPredictionTest(MantidSystemTest):
"""
At the time of writing WISH users rely quite heavily on the PredictPeaks
algorithm. As WISH has tubes rather than rectangular detectors sometimes
peaks fall between the gaps in the tubes.
Here we check that PredictPeaks works on a real WISH dataset & UB. This also
includes an example of a peak whose center is predicted to fall between two
tubes.
"""
def requiredFiles(self):
return ["WISH00038237.raw", "WISHPredictedSingleCrystalPeaks.nxs"]
def requiredMemoryMB(self):
# Need lots of memory for full WISH dataset
return 24000
def cleanup(self):
try:
os.path.remove(self._peaks_file)
except:
pass
def runTest(self):
ws = LoadRaw(Filename='WISH00038237.raw', OutputWorkspace='38237')
ws = ConvertUnits(ws, 'dSpacing', OutputWorkspace='38237')
UB = np.array([[-0.00601763, 0.07397297, 0.05865706],
[0.05373321, 0.050198, -0.05651455],
[-0.07822144, 0.0295911, -0.04489172]])
SetUB(ws, UB=UB)
self._peaks = PredictPeaks(ws,
WavelengthMin=0.1,
WavelengthMax=100,
OutputWorkspace='peaks')
# We specifically want to check peak -5 -1 -7 exists, so filter for it
self._filtered = FilterPeaks(self._peaks,
"h^2+k^2+l^2",
75,
'=',
OutputWorkspace='filtered')
SaveIsawPeaks(self._peaks, Filename='WISHSXReductionPeaksTest.peaks')
def validate(self):
self.assertEqual(self._peaks.rowCount(), 510)
self.assertEqual(self._filtered.rowCount(), 6)
# The peak at [-5 -1 -7] is known to fall between the gaps of WISH's tubes
# Specifically check this one is predicted to exist because past bugs have
# been found in the ray tracing.
BasicPeak = namedtuple('Peak', ('DetID', 'BankName', 'h', 'k', 'l'))
expected = BasicPeak(DetID=9202086,
BankName='WISHpanel09',
h=-5.0,
k=-1.0,
l=-7.0)
expected_peak_found = False
for full_peak in self._filtered:
peak = BasicPeak(DetID=full_peak.getDetectorID(),
BankName=full_peak.getBankName(),
h=full_peak.getH(),
k=full_peak.getK(),
l=full_peak.getL())
if peak == expected:
expected_peak_found = True
break
#endfor
self.assertTrue(
expected_peak_found,
msg="Peak at {} expected but it was not found".format(expected))
self._peaks_file = os.path.join(config['defaultsave.directory'],
'WISHSXReductionPeaksTest.peaks')
self.assertTrue(os.path.isfile(self._peaks_file))
return self._peaks.name(), "WISHPredictedSingleCrystalPeaks.nxs"
class WISHSingleCrystalPeakPredictionTest(MantidSystemTest):
"""
At the time of writing WISH users rely quite heavily on the PredictPeaks
algorithm. As WISH has tubes rather than rectangular detectors sometimes
peaks fall between the gaps in the tubes.
Here we check that PredictPeaks works on a real WISH dataset & UB. This also
includes an example of a peak whose center is predicted to fall between two
tubes.
"""
def requiredFiles(self):
return ["WISHPredictedSingleCrystalPeaks.nxs"]
def cleanup(self):
ADS.clear()
try:
os.remove(self._peaks_file)
except:
pass
def runTest(self):
ws = LoadEmptyInstrument(InstrumentName='WISH')
UB = np.array([[-0.00601763, 0.07397297, 0.05865706],
[0.05373321, 0.050198, -0.05651455],
[-0.07822144, 0.0295911, -0.04489172]])
SetUB(ws, UB=UB)
self._peaks = PredictPeaks(ws,
WavelengthMin=0.1,
WavelengthMax=100,
OutputWorkspace='peaks')
# We specifically want to check peak -5 -1 -7 exists, so filter for it
self._filtered = FilterPeaks(self._peaks,
"h^2+k^2+l^2",
75,
'=',
OutputWorkspace='filtered')
SaveIsawPeaks(self._peaks, Filename='WISHSXReductionPeaksTest.peaks')
def validate(self):
self.assertEqual(self._peaks.rowCount(), 527)
self.assertEqual(self._filtered.rowCount(), 7)
# The peak at [-5 -1 -7] is known to fall between the gaps of WISH's tubes
# Specifically check this one is predicted to exist because past bugs have
# been found in the ray tracing.
BasicPeak = namedtuple('Peak', ('DetID', 'BankName', 'h', 'k', 'l'))
expected = BasicPeak(DetID=9202086,
BankName='WISHpanel09',
h=-5.0,
k=-1.0,
l=-7.0)
expected_peak_found = False
peak_count = self._filtered.rowCount()
for i in range(
peak_count
): # iterate of the table representation of the PeaksWorkspace
peak_row = self._filtered.row(i)
peak = BasicPeak(**{k: peak_row[k] for k in BasicPeak._fields})
if peak == expected:
expected_peak_found = True
break
self.assertTrue(
expected_peak_found,
msg="Peak at {} expected but it was not found".format(expected))
self._peaks_file = os.path.join(config['defaultsave.directory'],
'WISHSXReductionPeaksTest.peaks')
self.assertTrue(os.path.isfile(self._peaks_file))
return self._peaks.name(), "WISHPredictedSingleCrystalPeaks.nxs"
class WISHSingleCrystalPeakPredictionTest(MantidSystemTest):
"""
At the time of writing WISH users rely quite heavily on the PredictPeaks
algorithm. As WISH has tubes rather than rectangular detectors sometimes
peaks fall between the gaps in the tubes.
Here we check that PredictPeaks works on a real WISH dataset & UB. This also
includes an example of a peak whose center is predicted to fall between two
tubes.
"""
def requiredFiles(self):
return ["WISH00038237.raw", "WISHPredictedSingleCrystalPeaks.nxs"]
def requiredMemoryMB(self):
# Need lots of memory for full WISH dataset
return 16000
def cleanup(self):
try:
os.path.remove(self._peaks_file)
except:
pass
def runTest(self):
ws = LoadRaw(Filename='WISH00038237.raw', OutputWorkspace='38237')
ws = ConvertUnits(ws, 'dSpacing', OutputWorkspace='38237')
UB = np.array([[-0.00601763, 0.07397297, 0.05865706],
[ 0.05373321, 0.050198, -0.05651455],
[-0.07822144, 0.0295911, -0.04489172]])
SetUB(ws, UB=UB)
self._peaks = PredictPeaks(ws, WavelengthMin=0.1, WavelengthMax=100,
OutputWorkspace='peaks')
# We specifically want to check peak -5 -1 -7 exists, so filter for it
self._filtered = FilterPeaks(self._peaks, "h^2+k^2+l^2", 75, '=',
OutputWorkspace='filtered')
SaveIsawPeaks(self._peaks, Filename='WISHSXReductionPeaksTest.peaks')
def validate(self):
self.assertEqual(self._peaks.rowCount(), 510)
self.assertEqual(self._filtered.rowCount(), 6)
# The peak at [-5 -1 -7] is known to fall between the gaps of WISH's tubes
# Specifically check this one is predicted to exist because past bugs have
# been found in the ray tracing.
Peak = namedtuple('Peak', ('DetID', 'BankName', 'h', 'k', 'l'))
expected = Peak(DetID=9202086, BankName='WISHpanel09', h=-5.0, k=-1.0, l=-7.0)
expected_peak_found = False
for row in self._filtered:
peak = Peak(DetID=row['DetID'], BankName=row['BankName'], h=row['h'], k=row['k'], l=row['l'])
if peak == expected:
expected_peak_found = True
break
#endfor
self.assertTrue(expected_peak_found, msg="Peak at {} expected but it was not found".format(expected))
self._peaks_file = os.path.join(config['defaultsave.directory'], 'WISHSXReductionPeaksTest.peaks')
self.assertTrue(os.path.isfile(self._peaks_file))
return self._peaks.name(), "WISHPredictedSingleCrystalPeaks.nxs"