def _compute_slice_nonPSD(self, workspace, x_axis, y_axis, e_mode,
norm_to_one):
axes = [x_axis, y_axis]
if x_axis.units == 'DeltaE':
e_axis = 0
elif y_axis.units == 'DeltaE':
e_axis = 1
else:
raise RuntimeError(
'Cannot calculate slices without an energy axis')
q_axis = (e_axis + 1) % 2
ebin = '%f, %f, %f' % (axes[e_axis].start, axes[e_axis].step,
axes[e_axis].end)
qbin = '%f, %f, %f' % (axes[q_axis].start, axes[q_axis].step,
axes[q_axis].end)
if axes[q_axis].units == '|Q|':
thisslice = SofQW3(InputWorkspace=workspace,
QAxisBinning=qbin,
EAxisBinning=ebin,
EMode=e_mode,
StoreInADS=False)
elif axes[q_axis].units == '2Theta':
thisslice = ConvertSpectrumAxis(InputWorkspace=workspace,
Target='Theta',
StoreInADS=False)
thisslice = Rebin2D(InputWorkspace=thisslice,
Axis1Binning=ebin,
Axis2Binning=qbin,
StoreInADS=False)
else:
raise RuntimeError(
"axis %s not recognised, must be '|Q|' or '2Theta'" %
axes[q_axis].units)
return thisslice
def _cut_nonPSD_momentum(q_binning, e_binning, emode, selected_workspace):
ws_out = SofQW3(InputWorkspace=selected_workspace,
OutputWorkspace='out',
EMode=emode,
QAxisBinning=q_binning,
EAxisBinning=e_binning,
StoreInADS=False)
return ws_out
def createPhononWS(self, T, en, e_units):
fn = 'name=Gaussian, PeakCentre='+str(en)+', Height=1, Sigma=0.5;'
fn +='name=Gaussian, PeakCentre=-'+str(en)+', Height='+str(np.exp(-en*11.6/T))+', Sigma=0.5;'
ws = CreateSampleWorkspace(binWidth = 0.1, XMin = -25, XMax = 25, XUnit = e_units, Function = 'User Defined', UserDefinedFunction=fn)
LoadInstrument(ws, InstrumentName='MARI', RewriteSpectraMap = True)
with self.assertRaises(RuntimeError):
ws_DOS = ComputeIncoherentDOS(ws)
ws = SofQW3(ws, [0, 0.05, 8], 'Direct', 25)
qq = np.arange(0, 8, 0.05)+0.025
for i in range(ws.getNumberHistograms()):
ws.setY(i, ws.readY(i)*qq[i]**2)
ws.setE(i, ws.readE(i)*qq[i]**2)
return ws
def _calcQEproj(self, input_workspace, emode, axis1, axis2):
""" Carries out either the Q-E or E-Q projections """
# For indirect geometry and large datafiles (likely to be using a 1-to-1 mapping use ConvertToMD('|Q|')
numSpectra = input_workspace.getNumberHistograms()
if emode == 'Indirect' or numSpectra > 1000:
retval = ConvertToMD(InputWorkspace=input_workspace, QDimensions=MOD_Q_LABEL,
PreprocDetectorsWS='-', dEAnalysisMode=emode, StoreInADS=False)
if axis1 == DELTA_E_LABEL and axis2 == MOD_Q_LABEL:
retval = self._flip_axes(retval)
# Otherwise first run SofQW3 to rebin it in |Q| properly before calling ConvertToMD with CopyToMD
else:
limits = self.getProperty('Limits').value
limits = ','.join([str(limits[i]) for i in [0, 2, 1]])
retval = SofQW3(InputWorkspace=input_workspace, QAxisBinning=limits, Emode=emode, StoreInADS=False)
retval = ConvertToMD(InputWorkspace=retval, QDimensions='CopyToMD', PreprocDetectorsWS='-',
dEAnalysisMode=emode, StoreInADS=False)
if axis1 == MOD_Q_LABEL:
retval = self._flip_axes(retval)
return retval