def PyExec(self):
# Get the run workspace
input_ws = self.getProperty('InputWorkspace').value
# Get spectra indices either from bank or direct list of indices, checking for errors
bank = self.getProperty('Bank').value
spectra = self.getProperty(self.INDICES_PROP_NAME).value
indices = EnggUtils.get_ws_indices_from_input_properties(input_ws, bank, spectra)
detector_positions = self.getProperty("DetectorPositions").value
n_reports = 8
prog = Progress(self, start=0, end=1, nreports=n_reports)
# Leave only the data for the bank/spectra list requested
prog.report('Selecting spectra from input workspace')
input_ws = EnggUtils.crop_data(self, input_ws, indices)
prog.report('Masking some bins if requested')
self._mask_bins(input_ws, self.getProperty('MaskBinsXMins').value, self.getProperty('MaskBinsXMaxs').value)
prog.report('Applying vanadium corrections')
# Leave data for the same bank in the vanadium workspace too
vanadium_ws = self.getProperty('VanadiumWorkspace').value
van_integration_ws = self.getProperty('VanIntegrationWorkspace').value
van_curves_ws = self.getProperty('VanCurvesWorkspace').value
EnggUtils.apply_vanadium_corrections(parent=self, ws=input_ws, indices=indices, vanadium_ws=vanadium_ws,
van_integration_ws=van_integration_ws, van_curves_ws=van_curves_ws,
progress_range=(0.65, 0.8))
prog.report("Applying calibration if requested")
# Apply calibration
if detector_positions:
self._apply_calibration(input_ws, detector_positions)
# Convert to dSpacing
prog.report("Converting to d")
input_ws = EnggUtils.convert_to_d_spacing(self, input_ws)
prog.report('Summing spectra')
# Sum the values across spectra
input_ws = EnggUtils.sum_spectra(self, input_ws)
prog.report('Preparing output workspace')
# Convert back to time of flight
input_ws = EnggUtils.convert_to_TOF(self, input_ws)
prog.report('Normalizing input workspace if needed')
if self.getProperty('NormaliseByCurrent').value:
self._normalize_by_current(input_ws)
# OpenGenie displays distributions instead of pure counts (this is done implicitly when
# converting units), so I guess that's what users will expect
self._convert_to_distribution(input_ws)
if bank:
self._add_bank_number(input_ws, bank)
self.setProperty("OutputWorkspace", input_ws)
def PyExec(self):
# Get the run workspace
input_ws = self.getProperty('InputWorkspace').value
# Get spectra indices either from bank or direct list of indices, checking for errors
bank = self.getProperty('Bank').value
spectra = self.getProperty(self.INDICES_PROP_NAME).value
indices = EnggUtils.get_ws_indices_from_input_properties(input_ws, bank, spectra)
detector_positions = self.getProperty("DetectorPositions").value
n_reports = 8
prog = Progress(self, start=0, end=1, nreports=n_reports)
# Leave only the data for the bank/spectra list requested
prog.report('Selecting spectra from input workspace')
input_ws = EnggUtils.crop_data(self, input_ws, indices)
prog.report('Masking some bins if requested')
self._mask_bins(input_ws, self.getProperty('MaskBinsXMins').value, self.getProperty('MaskBinsXMaxs').value)
prog.report('Applying vanadium corrections')
# Leave data for the same bank in the vanadium workspace too
vanadium_ws = self.getProperty('VanadiumWorkspace').value
van_integration_ws = self.getProperty('VanIntegrationWorkspace').value
van_curves_ws = self.getProperty('VanCurvesWorkspace').value
EnggUtils.apply_vanadium_corrections(parent=self, ws=input_ws, indices=indices, vanadium_ws=vanadium_ws,
van_integration_ws=van_integration_ws, van_curves_ws=van_curves_ws,
progress_range=(0.65, 0.8))
prog.report("Applying calibration if requested")
# Apply calibration
if detector_positions:
self._apply_calibration(input_ws, detector_positions)
# Convert to dSpacing
prog.report("Converting to d")
input_ws = EnggUtils.convert_to_d_spacing(self, input_ws)
prog.report('Summing spectra')
# Sum the values across spectra
input_ws = EnggUtils.sum_spectra(self, input_ws)
prog.report('Preparing output workspace')
# Convert back to time of flight
input_ws = EnggUtils.convert_to_TOF(self, input_ws)
prog.report('Normalizing input workspace if needed')
if self.getProperty('NormaliseByCurrent').value:
self._normalize_by_current(input_ws)
# OpenGenie displays distributions instead of pure counts (this is done implicitly when
# converting units), so I guess that's what users will expect
self._convert_to_distribution(input_ws)
self._add_bank_number(input_ws, bank)
self.setProperty("OutputWorkspace", input_ws)
def _fit_curves_per_bank(self, vanadium_ws, banks, spline_breaks, prog):
"""
Fits one curve to every bank (where for every bank the data fitted is the result of
summing up all the spectra of the bank). The fitting is done in d-spacing.
@param vanadium_ws :: Vanadium run workspace to fit, expected in TOF units as they are archived
@param banks :: list of banks to consider which is normally all the banks of the instrument
@param spline_breaks :: number of break points when fitting spline functions
@param prog :: progress reporter
@returns a workspace with fitting results for all banks (3 spectra per bank). The spectra
are in dSpacing units.
"""
curves = {}
for bank_number, bank in enumerate(banks):
prog.report("Fitting bank {} of {}".format(bank_number + 1,
len(banks)))
indices = EnggUtils.get_ws_indices_for_bank(vanadium_ws, bank)
if not indices:
# no indices at all for this bank, not interested in it, don't add it to the dictionary
# (as when doing Calibrate (not-full)) which does CropData() the original workspace
continue
prog.report("Cropping")
ws_to_fit = EnggUtils.crop_data(self, vanadium_ws, indices)
prog.report("Converting to d-spacing")
ws_to_fit = EnggUtils.convert_to_d_spacing(self, ws_to_fit)
prog.report("Summing spectra")
ws_to_fit = EnggUtils.sum_spectra(self, ws_to_fit)
prog.report("Fitting bank {} to curve".format(bank_number))
fit_ws = self._fit_bank_curve(ws_to_fit, bank, spline_breaks, prog)
curves.update({bank: fit_ws})
curves_ws = self._prepare_curves_ws(curves)
return curves_ws
def _fit_curves_per_bank(self, vanadium_ws, banks, spline_breaks, prog):
"""
Fits one curve to every bank (where for every bank the data fitted is the result of
summing up all the spectra of the bank). The fitting is done in d-spacing.
@param vanadium_ws :: Vanadium run workspace to fit, expected in TOF units as they are archived
@param banks :: list of banks to consider which is normally all the banks of the instrument
@param spline_breaks :: number of break points when fitting spline functions
@param prog :: progress reporter
@returns a workspace with fitting results for all banks (3 spectra per bank). The spectra
are in dSpacing units.
"""
curves = {}
for bank_number, bank in enumerate(banks):
prog.report("Fitting bank {} of {}".format(bank_number + 1, len(banks)))
indices = EnggUtils.get_ws_indices_for_bank(vanadium_ws, bank)
if not indices:
# no indices at all for this bank, not interested in it, don't add it to the dictionary
# (as when doing Calibrate (not-full)) which does CropData() the original workspace
continue
prog.report("Cropping")
ws_to_fit = EnggUtils.crop_data(self, vanadium_ws, indices)
prog.report("Converting to d-spacing")
ws_to_fit = EnggUtils.convert_to_d_spacing(self, ws_to_fit)
prog.report("Summing spectra")
ws_to_fit = EnggUtils.sum_spectra(self, ws_to_fit)
prog.report("Fitting bank {} to curve".format(bank_number))
fit_ws = self._fit_bank_curve(ws_to_fit, bank, spline_breaks, prog)
curves.update({bank: fit_ws})
curves_ws = self._prepare_curves_ws(curves)
return curves_ws
