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')
FindUBUsingIndexedPeaks(PeaksWorkspace=peaks_ws, Tolerance=tolerance)
else:
print "Only integrating FOUND peaks ...."
#
#Delete MD workspace
AnalysisDataService.remove(MDEW.name())
#
# Save UB and peaks file, so if something goes wrong latter, we can at least
# see these partial results
#
SaveIsawUB(InputWorkspace=peaks_ws, Filename=run_niggli_matrix_file)
SaveIsawPeaks(InputWorkspace=peaks_ws,
AppendFile=False,
Filename=run_niggli_integrate_file)
#
# Set the monitor counts for all the peaks that will be integrated
#
#
# Set the monitor counts for all the peaks that will be integrated
#
num_peaks = peaks_ws.getNumberPeaks()
for i in range(num_peaks):
peak = peaks_ws.getPeak(i)
if use_monitor_counts:
peak.setMonitorCount(monitor_count)
else:
peak.setMonitorCount(proton_charge)