def PyExec(self):
peaks = self.getProperty('Workspace').value
wavelength = self.getProperty("Wavelength").value
if wavelength == Property.EMPTY_DBL:
wavelength = float(peaks.run()['wavelength'].value)
if self.getProperty("OverrideProperty").value:
flip_x = self.getProperty("FlipX").value
inner = self.getProperty("InnerGoniometer").value
else:
flip_x = peaks.getInstrument().getName() == "HB3A"
if peaks.getInstrument().getName() == "HB3A":
inner = math.isclose(peaks.run().getTimeAveragedStd("omega"),
0.0)
else:
inner = False
starting_goniometer = peaks.run().getGoniometer().getR()
for n in range(peaks.getNumberPeaks()):
p = peaks.getPeak(n)
g = Goniometer()
g.setR(starting_goniometer)
g.calcFromQSampleAndWavelength(V3D(*p.getQSampleFrame()),
wavelength, flip_x, inner)
self.log().information(
"Found goniometer omega={:.2f} chi={:.2f} phi={:.2f} for peak {} with Q_sample {}"
.format(*g.getEulerAngles('YZY'), n, p.getQSampleFrame()))
p.setWavelength(wavelength)
p.setGoniometerMatrix(g.getR())
InputWorkspace='ConvertHFIRSCDtoMDETest_data', Wavelength=1.488)
ConvertHFIRSCDtoMDETest_peaks = FindPeaksMD(
InputWorkspace=ConvertHFIRSCDtoMDETest_Q,
PeakDistanceThreshold=2.2,
CalculateGoniometerForCW=True,
Wavelength=1.488)
ConvertHFIRSCDtoMDETest_leanpeaks = FindPeaksMD(
InputWorkspace=ConvertHFIRSCDtoMDETest_Q,
PeakDistanceThreshold=2.2,
OutputType='LeanElasticPeak')
LoadMD('./ExternalData/Testing/Data/SystemTest/HB2C_WANDSCD_norm.nxs',
OutputWorkspace='ConvertWANDSCDtoQTest_norm')
ConvertWANDSCDtoQTest_Q = ConvertWANDSCDtoQ(
InputWorkspace='ConvertHFIRSCDtoMDETest_data',
NormalisationWorkspace='ConvertWANDSCDtoQTest_norm')
ConvertWANDSCDtoQTest_peaks = FindPeaksMD(
InputWorkspace=ConvertWANDSCDtoQTest_Q,
PeakDistanceThreshold=2,
CalculateGoniometerForCW=True,
Wavelength=1.488)
from mantid.geometry import Goniometer
wavelength = 1.488
for n in range(ConvertHFIRSCDtoMDETest_leanpeaks.getNumberPeaks()):
p = ConvertHFIRSCDtoMDETest_leanpeaks.getPeak(n)
g = Goniometer()
g.calcFromQSampleAndWavelength(p.getQSampleFrame(), wavelength)
p.setWavelength(wavelength)
p.setGoniometerMatrix(g.getR())
print(g.getEulerAngles('YZY'))
HFIRCalculateGoniometer(filter_int_peaks2)
leanelasticpeaks3 = PredictPeaks("data",
ReflectionCondition='B-face centred',
OutputType='LeanElasticPeak')
ws = CreatePeaksWorkspace()
SetUB(ws, a=2, b=2, c=2)
p = PredictPeaks(ws, OutputType='LeanElasticPeak', CalculateWavelength=False)
peaks = leanelasticpeaks3
wavelength = peaks.run()['wavelength'].value
flip_x = peaks.getInstrument().getName() == "HB3A"
if peaks.getInstrument().getName() == "HB3A":
inner = math.isclose(peaks.run().getTimeAveragedStd("omega"), 0.0)
else:
inner = False
for n in range(peaks.getNumberPeaks()):
p = peaks.getPeak(n)
g = Goniometer()
g.calcFromQSampleAndWavelength(V3D(*p.getQSampleFrame()), wavelength,
flip_x, inner)
p.setWavelength(wavelength)
p.setGoniometerMatrix(g.getR())
print(g.getEulerAngles('YZY'))
