def _generate_calibration_workspace(instrument, ws_name='__calib'):
simulation_workspace = CreateSimulationWorkspace(Instrument=instrument,
BinParams='0,1,2')
number_of_histograms = simulation_workspace.getNumberHistograms()
calib_workspace = CreateWorkspace(OutputWorkspace=ws_name,
DataX=np.ones(1),
DataY=np.ones(number_of_histograms),
NSpec=number_of_histograms,
ParentWorkspace=simulation_workspace)
DeleteWorkspace(simulation_workspace)
return calib_workspace
def _generate_calibration_workspace(instrument, ws_name='__calib'):
simulation_workspace = CreateSimulationWorkspace(Instrument=instrument,
BinParams='0,1,2')
number_of_histograms = simulation_workspace.getNumberHistograms()
calib_workspace = CreateWorkspace(OutputWorkspace=ws_name,
DataX=np.ones(1),
DataY=np.ones(number_of_histograms),
NSpec=number_of_histograms,
ParentWorkspace=simulation_workspace)
DeleteWorkspace(simulation_workspace)
return calib_workspace
def setUpClass(cls):
x = np.linspace(0, 99, 100)
y = x * 1
e = y * 0 + 2
cls.m_workspace = wrap_workspace(
CreateWorkspace(x, y, e, OutputWorkspace="m_ws"), 'm_ws')
sim_workspace = CreateSimulationWorkspace(Instrument='MAR',
BinParams=[-10, 1, 10],
UnitX='DeltaE',
OutputWorkspace='ws1')
AddSampleLog(sim_workspace,
LogName='Ei',
LogText='3.',
LogType='Number')
cls.px_workspace = ConvertToMD(InputWorkspace=sim_workspace,
OutputWorkspace="ws1",
QDimensions='|Q|',
dEAnalysisMode='Direct',
MinValues='-10,0,0',
MaxValues='10,6,500',
SplitInto='50,50')
cls.px_workspace_clone = CloneWorkspace(
InputWorkspace=cls.px_workspace,
OutputWorkspace='ws2',
StoreInADS=False)
cls.px_workspace = wrap_workspace(cls.px_workspace, 'ws1')
cls.px_workspace_clone = wrap_workspace(cls.px_workspace_clone, 'ws2')
def setUp(self):
# IPeak cannot currently be instatiated so this is a quick way
# getting a handle to a peak object
ws = CreateSimulationWorkspace("SXD", BinParams="1,1,10")
peaks = CreatePeaksWorkspace(ws, 1)
self._peak = peaks.getPeak(0)
# tolerance for differences in q vectors that a recomputed
# on every call.
self._tolerance = 1e-2
def get_tof_factors(self):
ws = CreateSimulationWorkspace(Instrument=self._instrument_definition_file,
BinParams='0.0,0.1,0.2')
instrument = ws.getInstrument()
sample = instrument.getSample()
source_sample_distance = (sample.getPos() - instrument.getSource().getPos()).norm()
# Get the detectors of the instrument
detectors = [ws.getDetector(x) for x in range(ws.getNumberHistograms())]
# Calculate sin(theta)...
sin_theta = [np.sin(ws.detectorTwoTheta(x) / 2.0) for x in detectors]
# ...and the total flight paths for each detector.
distances = [source_sample_distance + (x.getPos() - sample.getPos()).norm() for x in detectors]
# Multiplying a d-value in Angstrom with a value in this list gives the TOF in microseconds
return [2.0 * m_n * s * st / h * 1e-4 for s, st in zip(distances, sin_theta)]
def test_get_hkls(self):
ws = CreateSimulationWorkspace("IRIS", BinParams="1,5,10")
peaks = CreatePeaksWorkspace(ws, 2)
reference = np.array([
[1, 1, 2],
[2, 1, 4],
])
peak = peaks.getPeak(0)
peak.setHKL(1, 1, 2)
peak = peaks.getPeak(1)
peak.setHKL(2, 1, 4)
hkl = indexing.get_hkls(peaks)
npt.assert_array_equal(hkl, reference)
def create_pixel_workspace(self, name):
sim_workspace = CreateSimulationWorkspace(Instrument='MAR', BinParams=[-10, 1, 10],
UnitX='DeltaE', OutputWorkspace=name)
AddSampleLog(sim_workspace, LogName='Ei', LogText='3.', LogType='Number')
sim_workspace = ConvertToMD(InputWorkspace=sim_workspace, OutputWorkspace=name, QDimensions='|Q|',
dEAnalysisMode='Direct', MinValues='-10,0,0', MaxValues='10,6,500',
SplitInto='50,50')
workspace = wrap_workspace(sim_workspace, name)
workspace.is_PSD = True
workspace.limits['MomentumTransfer'] = [0.1, 3.1, 0.1]
workspace.limits['|Q|'] = [0.1, 3.1, 0.1]
workspace.limits['DeltaE'] = [-10, 15, 1]
workspace.e_fixed = 10
workspace.ef_defined = True
return workspace
def setUpClass(cls): # create (non-zero) test data
sim_workspace = CreateSimulationWorkspace(Instrument='MAR',
BinParams=[-10, 1, 10],
UnitX='DeltaE',
OutputWorkspace='simws')
AddSampleLog(sim_workspace,
LogName='Ei',
LogText='3.',
LogType='Number')
cls.workspace = ConvertToMD(InputWorkspace=sim_workspace,
OutputWorkspace="convert_ws",
QDimensions='|Q|',
dEAnalysisMode='Direct',
MinValues='-10,0,0',
MaxValues='10,6,500',
SplitInto='50,50')
cls.workspace = PixelWorkspace(cls.workspace, 'convert_ws')