def _focus_one_ws(input_workspace,
run_number,
instrument,
perform_vanadium_norm,
absorb,
sample_details,
vanadium_path,
empty_can_subtraction_method,
paalman_pings_events_per_point=None):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs, as long as this run isn't an empty, user hasn't turned empty subtraction off, or
# The user has not supplied a sample empty
is_run_empty = common.runs_overlap(run_number, run_details.empty_inst_runs)
summed_empty = None
if not is_run_empty and instrument.should_subtract_empty_inst(
) and not run_details.sample_empty:
if os.path.isfile(run_details.summed_empty_inst_file_path):
logger.warning('Pre-summed empty instrument workspace found at ' +
run_details.summed_empty_inst_file_path)
summed_empty = mantid.LoadNexus(
Filename=run_details.summed_empty_inst_file_path)
else:
summed_empty = common.generate_summed_runs(
empty_sample_ws_string=run_details.empty_inst_runs,
instrument=instrument)
elif run_details.sample_empty:
scale_factor = 1.0
if empty_can_subtraction_method != 'PaalmanPings':
scale_factor = instrument._inst_settings.sample_empty_scale
# Subtract a sample empty if specified ie empty can
summed_empty = common.generate_summed_runs(
empty_sample_ws_string=run_details.sample_empty,
instrument=instrument,
scale_factor=scale_factor)
if absorb and empty_can_subtraction_method == 'PaalmanPings':
if run_details.sample_empty: # need summed_empty including container
input_workspace = instrument._apply_paalmanpings_absorb_and_subtract_empty(
workspace=input_workspace,
summed_empty=summed_empty,
sample_details=sample_details,
paalman_pings_events_per_point=paalman_pings_events_per_point)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
else:
raise TypeError(
"The PaalmanPings absorption method requires 'sample_empty' to be supplied."
)
else:
if summed_empty:
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace, empty_sample=summed_empty)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
if absorb:
input_workspace = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=input_workspace)
else:
# Set sample material if specified by the user
if sample_details is not None:
mantid.SetSample(
InputWorkspace=input_workspace,
Geometry=sample_details.generate_sample_geometry(),
Material=sample_details.generate_sample_material())
# Align
mantid.ApplyDiffCal(InstrumentWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
aligned_ws = mantid.ConvertUnits(InputWorkspace=input_workspace,
Target="dSpacing")
solid_angle = instrument.get_solid_angle_corrections(
run_details.vanadium_run_numbers, run_details)
if solid_angle:
aligned_ws = mantid.Divide(LHSWorkspace=aligned_ws,
RHSWorkspace=solid_angle)
mantid.DeleteWorkspace(solid_angle)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
instrument.apply_calibration_to_focused_data(focused_ws)
calibrated_spectra = _apply_vanadium_corrections(
instrument=instrument,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(
workspace_list=output_spectra, bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(
output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
def _focus_one_ws(input_workspace, run_number, instrument,
perform_vanadium_norm, absorb, sample_details,
vanadium_path):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs, as long as this run isn't an empty and user hasn't turned empty subtraction off
if not common.runs_overlap(run_number, run_details.empty_runs
) and instrument.should_subtract_empty_inst():
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace,
instrument=instrument,
empty_sample_ws_string=run_details.empty_runs)
# Subtract a sample empty if specified
if run_details.sample_empty:
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace,
instrument=instrument,
empty_sample_ws_string=run_details.sample_empty,
scale_factor=instrument._inst_settings.sample_empty_scale)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
# Correct for absorption / multiple scattering if required
if absorb:
input_workspace = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=input_workspace)
else:
# Set sample material if specified by the user
if sample_details is not None:
mantid.SetSample(
InputWorkspace=input_workspace,
Geometry=common.generate_sample_geometry(sample_details),
Material=common.generate_sample_material(sample_details))
# Align
aligned_ws = mantid.AlignDetectors(
InputWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
calibrated_spectra = _apply_vanadium_corrections(
instrument=instrument,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(
workspace_list=output_spectra, bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(
output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
def _focus_one_ws(input_workspace, run_number, instrument, perform_vanadium_norm, absorb, sample_details,
vanadium_path):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs, as long as this run isn't an empty and user hasn't turned empty subtraction off
if not common.runs_overlap(run_number, run_details.empty_runs) and instrument.should_subtract_empty_inst():
input_workspace = common.subtract_summed_runs(ws_to_correct=input_workspace, instrument=instrument,
empty_sample_ws_string=run_details.empty_runs)
# Subtract a sample empty if specified
if run_details.sample_empty:
input_workspace = common.subtract_summed_runs(ws_to_correct=input_workspace, instrument=instrument,
empty_sample_ws_string=run_details.sample_empty,
scale_factor=instrument._inst_settings.sample_empty_scale)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(ws_to_crop=input_workspace)
# Correct for absorption / multiple scattering if required
if absorb:
input_workspace = instrument._apply_absorb_corrections(run_details=run_details, ws_to_correct=input_workspace)
else:
# Set sample material if specified by the user
if sample_details is not None:
mantid.SetSample(InputWorkspace=input_workspace,
Geometry=common.generate_sample_geometry(sample_details),
Material=common.generate_sample_material(sample_details))
# Align
aligned_ws = mantid.AlignDetectors(InputWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
calibrated_spectra = _apply_vanadium_corrections(instrument=instrument,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(workspace_list=output_spectra,
bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
