From 65cc5105501267d83b29367acf4015f3a8adb5e7 Mon Sep 17 00:00:00 2001
From: David Fairbrother <DavidFair@users.noreply.github.com>
Date: Thu, 1 Dec 2016 11:56:36 +0000
Subject: [PATCH] Re #18108 Add processing mode POLARIS
---
.../Diffraction/isis_powder/abstract_inst.py | 4 +-
.../isis_powder/pearl_routines/pearl_algs.py | 2 +-
.../pearl_routines/pearl_calibration_algs.py | 4 +-
scripts/Diffraction/isis_powder/polaris.py | 6 +-
.../polaris_routines/polaris_algs.py | 10 ++-
.../isis_powder/routines/calibrate.py | 17 ++--
.../isis_powder/routines/common.py | 74 ++++++++++-------
.../isis_powder/routines/common_enums.py | 6 ++
.../Diffraction/isis_powder/routines/focus.py | 80 ++++++++++++-------
9 files changed, 126 insertions(+), 77 deletions(-)
create mode 100644 scripts/Diffraction/isis_powder/routines/common_enums.py
diff --git a/scripts/Diffraction/isis_powder/abstract_inst.py b/scripts/Diffraction/isis_powder/abstract_inst.py
index 49281d87a4f..764e8709c8a 100644
--- a/scripts/Diffraction/isis_powder/abstract_inst.py
+++ b/scripts/Diffraction/isis_powder/abstract_inst.py
@@ -71,8 +71,8 @@ class AbstractInst(object):
output_van_file_name=output_file_name,
absorb=do_absorb_corrections, gen_absorb=gen_absorb_correction)
- def _focus(self, run_number, do_attenuation, do_van_normalisation):
- return focus.focus(run_number=run_number, perform_attenuation=do_attenuation,
+ def _focus(self, run_number, input_batching, do_attenuation, do_van_normalisation):
+ return focus.focus(run_number=run_number, perform_attenuation=do_attenuation, input_batching=input_batching,
perform_vanadium_norm=do_van_normalisation, instrument=self)
def _generate_out_file_paths(self, run_details, output_directory=None):
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
index 25ff773b51b..277123ce0a7 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
@@ -14,7 +14,7 @@ def attenuate_workspace(attenuation_file_path, ws_to_correct):
wc_attenuated = mantid.RebinToWorkspace(WorkspaceToRebin=wc_attenuated, WorkspaceToMatch=ws_to_correct,
OutputWorkspace=wc_attenuated)
pearl_attenuated_ws = mantid.Divide(LHSWorkspace=ws_to_correct, RHSWorkspace=wc_attenuated)
- common.remove_intermediate_workspace(workspace_name=wc_attenuated)
+ common.remove_intermediate_workspace(workspaces=wc_attenuated)
return pearl_attenuated_ws
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_calibration_algs.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_calibration_algs.py
index 80713c22cb0..1ab806f0a37 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_calibration_algs.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_calibration_algs.py
@@ -8,7 +8,7 @@ import isis_powder.routines.common as common
def create_calibration(self, calibration_runs, offset_file_name, grouping_file_name):
- input_ws = common.load_current_normalised_ws(run_number_string=calibration_runs, instrument=self)
+ input_ws = common.load_current_normalised_ws_list(run_number_string=calibration_runs, instrument=self)
run_details = self.get_run_details(calibration_runs)
if run_details.instrument_version == "new" or run_details.instrument_version == "new2":
@@ -49,7 +49,7 @@ def create_calibration(self, calibration_runs, offset_file_name, grouping_file_n
def do_silicon_calibration(self, runs_to_process, cal_file_name, grouping_file_name):
# TODO fix all of this as the script is too limited to be useful
- create_si_ws = common.load_current_normalised_ws(run_number_string=runs_to_process, instrument=self)
+ create_si_ws = common.load_current_normalised_ws_list(run_number_string=runs_to_process, instrument=self)
cycle_details = self._get_label_information(runs_to_process)
instrument_version = cycle_details["instrument_version"]
diff --git a/scripts/Diffraction/isis_powder/polaris.py b/scripts/Diffraction/isis_powder/polaris.py
index 7c8ee08e6fd..28987b7ab38 100644
--- a/scripts/Diffraction/isis_powder/polaris.py
+++ b/scripts/Diffraction/isis_powder/polaris.py
@@ -33,8 +33,8 @@ class Polaris(AbstractInst):
self._ads_workaround = 0
- def focus(self, run_number, do_attenuation=True, do_van_normalisation=True):
- return self._focus(run_number=run_number, do_attenuation=do_attenuation,
+ def focus(self, run_number, input_mode, do_attenuation=True, do_van_normalisation=True):
+ return self._focus(run_number=run_number, input_batching=input_mode, do_attenuation=do_attenuation,
do_van_normalisation=do_van_normalisation)
def create_calibration_vanadium(self, run_in_range, do_absorb_corrections=True, gen_absorb_correction=False):
@@ -74,7 +74,7 @@ class Polaris(AbstractInst):
return self._number_of_banks
def normalise_ws(self, ws_to_correct, run_details=None):
- normalised_ws = mantid.NormaliseByCurrent(InputWorkspace=ws_to_correct)
+ normalised_ws = mantid.NormaliseByCurrent(InputWorkspace=ws_to_correct, OutputWorkspace=ws_to_correct)
return normalised_ws
def apply_solid_angle_efficiency_corr(self, ws_to_correct, run_details):
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index 9be2b07e265..74e827da88b 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -3,6 +3,7 @@ from __future__ import (absolute_import, division, print_function)
import mantid.simpleapi as mantid
import os
import isis_powder.routines.common as common
+from isis_powder.routines.common_enums import InputBatchingEnum
from isis_powder.polaris_routines import polaris_calib_parser
from isis_powder.routines.RunDetails import RunDetails
@@ -59,8 +60,9 @@ def generate_absorb_corrections(ws_to_match):
def generate_solid_angle_corrections(run_details, instrument):
- vanadium_ws = common.load_current_normalised_ws(run_number_string=run_details.vanadium, instrument=instrument)
- corrections = _calculate_solid_angle_efficiency_corrections(vanadium_ws)
+ vanadium_ws = common.load_current_normalised_ws_list(run_number_string=run_details.vanadium, instrument=instrument,
+ input_batching=InputBatchingEnum.Summed)
+ corrections = _calculate_solid_angle_efficiency_corrections(vanadium_ws[0])
mantid.SaveNexusProcessed(InputWorkspace=corrections, Filename=run_details.solid_angle_corr)
common.remove_intermediate_workspace(vanadium_ws)
return corrections
@@ -180,9 +182,9 @@ def _calculate_solid_angle_efficiency_corrections(vanadium_ws):
def _generate_solid_angle_file_name(chopper_on, vanadium_run_string):
if chopper_on:
- return "SAC_chopperOn_" + vanadium_run_string + ".nxs"
+ return "SAC_" + vanadium_run_string + "_chopperOn"
else:
- return "SAC_chopperOff_" + vanadium_run_string + ".nxs"
+ return "SAC_" + vanadium_run_string + "_chopperOff"
def _generate_splined_van_name(chopper_on, sac_applied, vanadium_run_string):
diff --git a/scripts/Diffraction/isis_powder/routines/calibrate.py b/scripts/Diffraction/isis_powder/routines/calibrate.py
index 8563d94fee4..dacda3d8788 100644
--- a/scripts/Diffraction/isis_powder/routines/calibrate.py
+++ b/scripts/Diffraction/isis_powder/routines/calibrate.py
@@ -5,20 +5,25 @@ import os
import mantid.simpleapi as mantid
import isis_powder.routines.common as common
+from isis_powder.routines.common_enums import InputBatchingEnum
def create_van(instrument, van, empty, output_van_file_name, absorb, gen_absorb):
- input_van_ws = common.load_current_normalised_ws(run_number_string=van, instrument=instrument)
+ # Always sum a range of inputs as its a vanadium run over multiple captures
+ input_van_ws_list = common.load_current_normalised_ws_list(run_number_string=van, instrument=instrument,
+ input_batching=InputBatchingEnum.Summed)
+
+ input_van_ws = input_van_ws_list[0] # As we asked for a summed ws there should only be one returned
+
corrected_van_ws = common.subtract_sample_empty(ws_to_correct=input_van_ws, empty_sample_ws_string=empty,
instrument=instrument)
-
common.remove_intermediate_workspace(input_van_ws)
run_details = instrument.get_run_details(run_number=van)
- # corrected_van_ws = instrument. pearl_van_calibration_tof_rebinning(vanadium_ws=corrected_van_ws,
- # tof_rebin_pass=1, return_units="TOF")
+ corrected_van_ws = instrument. pearl_van_calibration_tof_rebinning(vanadium_ws=corrected_van_ws,
+ tof_rebin_pass=1, return_units="TOF")
corrected_van_ws = mantid.AlignDetectors(InputWorkspace=corrected_van_ws,
CalibrationFile=run_details.calibration)
@@ -34,8 +39,8 @@ def create_van(instrument, van, empty, output_van_file_name, absorb, gen_absorb)
GroupingFileName=run_details.grouping)
# Optional
- # focused_van_file = instrument. pearl_van_calibration_tof_rebinning(vanadium_ws=focused_van_file,
- # tof_rebin_pass=2, return_units="dSpacing")
+ focused_van_file = instrument. pearl_van_calibration_tof_rebinning(vanadium_ws=focused_van_file,
+ tof_rebin_pass=2, return_units="dSpacing")
common.remove_intermediate_workspace(corrected_van_ws)
diff --git a/scripts/Diffraction/isis_powder/routines/common.py b/scripts/Diffraction/isis_powder/routines/common.py
index ceb8066c47b..db8a942a0bd 100644
--- a/scripts/Diffraction/isis_powder/routines/common.py
+++ b/scripts/Diffraction/isis_powder/routines/common.py
@@ -2,7 +2,7 @@ from __future__ import (absolute_import, division, print_function)
import mantid.kernel as kernel
import mantid.simpleapi as mantid
-
+from isis_powder.routines.common_enums import InputBatchingEnum
# A small workaround to ensure when reading workspaces in a loop
# the previous workspace does not got overridden
@@ -62,46 +62,56 @@ def get_monitor_ws(ws_to_process, run_number_string, instrument):
return load_monitor_ws
-def load_current_normalised_ws(run_number_string, instrument):
+def load_current_normalised_ws_list(run_number_string, instrument, input_batching):
run_information = instrument.get_run_details(run_number=run_number_string)
- read_in_ws = _load_raw_files(run_number_string=run_number_string, instrument=instrument)
- read_ws = instrument.normalise_ws(ws_to_correct=read_in_ws, run_details=run_information)
+ raw_ws_list = _load_raw_files(run_number_string=run_number_string, instrument=instrument)
+
+ if input_batching.lower() == InputBatchingEnum.Summed.lower():
+ summed_ws = _sum_ws_range(ws_list=raw_ws_list)
+ remove_intermediate_workspace(raw_ws_list)
+ raw_ws_list = [summed_ws]
- output_name = "read_ws_output-" + str(g_ads_workaround["read_ws"])
- g_ads_workaround["read_ws"] += 1
- read_ws = mantid.RenameWorkspace(InputWorkspace=read_ws, OutputWorkspace=output_name)
+ normalised_ws_list = _normalise_workspaces(ws_list=raw_ws_list, run_information=run_information,
+ instrument=instrument)
- remove_intermediate_workspace(read_in_ws)
- return read_ws
+ return normalised_ws_list
-def remove_intermediate_workspace(workspace_name):
- #if mantid.mtd.doesExist(workspace_name):
- mantid.DeleteWorkspace(workspace_name)
- # del workspace_name # Mark it as deleted so that more information is preserved on throw
- #else:
- # raise RuntimeError("Tried to remove non-existent workspace: " + str(workspace_name))
+def remove_intermediate_workspace(workspaces):
+ if isinstance(workspaces, list):
+ for ws in workspaces:
+ mantid.DeleteWorkspace(ws)
+ else:
+ mantid.DeleteWorkspace(workspaces)
def subtract_sample_empty(ws_to_correct, empty_sample_ws_string, instrument):
- output = ws_to_correct
if empty_sample_ws_string:
- empty_sample = load_current_normalised_ws(run_number_string=empty_sample_ws_string, instrument=instrument)
- corrected_ws = mantid.Minus(LHSWorkspace=ws_to_correct, RHSWorkspace=empty_sample)
+ empty_sample = load_current_normalised_ws_list(run_number_string=empty_sample_ws_string, instrument=instrument,
+ input_batching=InputBatchingEnum.Summed)
+ mantid.Minus(LHSWorkspace=ws_to_correct, RHSWorkspace=empty_sample[0], OutputWorkspace=ws_to_correct)
remove_intermediate_workspace(empty_sample)
- output = corrected_ws
- return output
+
+ return ws_to_correct
+
+
+def _normalise_workspaces(ws_list, instrument, run_information):
+ output_list = []
+ for ws in ws_list:
+ output_list.append(instrument.normalise_ws(ws_to_correct=ws, run_details=run_information))
+
+ return output_list
def _check_load_range(list_of_runs_to_load):
- MAXIMUM_RANGE_LEN = 20 # If more than this number of runs is entered probably wrong
+ MAXIMUM_RANGE_LEN = 1000 # If more than this number of runs is entered probably wrong
if len(list_of_runs_to_load) > MAXIMUM_RANGE_LEN:
raise ValueError("More than " + str(MAXIMUM_RANGE_LEN) + " runs were selected."
" Found " + str(len(list_of_runs_to_load)) + " Aborting.")
def _create_blank_cal_file(calibration_runs, out_grouping_file_name, instrument, group_names):
- input_ws = load_current_normalised_ws(calibration_runs, instrument)
+ input_ws = load_current_normalised_ws_list(calibration_runs, instrument, input_batching=InputBatchingEnum.Summed)
calibration_d_spacing_ws = mantid.ConvertUnits(InputWorkspace=input_ws, Target="dSpacing")
mantid.CreateCalFileByNames(InstrumentWorkspace=calibration_d_spacing_ws,
GroupingFileName=out_grouping_file_name, GroupNames=group_names)
@@ -112,27 +122,29 @@ def _create_blank_cal_file(calibration_runs, out_grouping_file_name, instrument,
def _load_raw_files(run_number_string, instrument):
run_number_list = generate_run_numbers(run_number_string=run_number_string)
instrument._old_api_pearl_setup_input_dirs(run_number=run_number_list[0])
- load_raw_ws = _load_sum_file_range(run_number_list, instrument)
+ load_raw_ws = _load_list_of_files(run_number_list, instrument)
return load_raw_ws
-def _load_sum_file_range(run_numbers_list, instrument):
+def _load_list_of_files(run_numbers_list, instrument):
read_ws_list = []
-
_check_load_range(list_of_runs_to_load=run_numbers_list)
for run_number in run_numbers_list:
file_name = instrument.generate_inst_file_name(run_number=run_number)
- read_ws = mantid.Load(Filename=file_name, LoadLogFiles="0")
+ read_ws = mantid.Load(Filename=file_name)
read_ws_list.append(mantid.RenameWorkspace(InputWorkspace=read_ws, OutputWorkspace=str(file_name)))
+ return read_ws_list
+
+
+def _sum_ws_range(ws_list):
# Sum all workspaces
- out_ws_name = "summed_range_load-" + str(g_ads_workaround["read_ws"])
- g_ads_workaround["read_ws"] += 1
- summed_ws = mantid.RenameWorkspace(InputWorkspace=read_ws_list[0], OutputWorkspace=out_ws_name)
- for ws in read_ws_list[1:]: # Skip first member
+ out_ws_name = "summed_" + ws_list[0].name() + '_' + ws_list[-1].name()
+
+ summed_ws = mantid.CloneWorkspace(InputWorkspace=ws_list[0], OutputWorkspace=out_ws_name)
+ for ws in ws_list[1:]: # Skip the first element
summed_ws = mantid.Plus(LHSWorkspace=summed_ws, RHSWorkspace=ws, OutputWorkspace=out_ws_name)
- remove_intermediate_workspace(ws)
return summed_ws
diff --git a/scripts/Diffraction/isis_powder/routines/common_enums.py b/scripts/Diffraction/isis_powder/routines/common_enums.py
new file mode 100644
index 00000000000..1261755dc4b
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/routines/common_enums.py
@@ -0,0 +1,6 @@
+from __future__ import (absolute_import, division, print_function)
+
+
+class InputBatchingEnum(object):
+ Individual = "Individual"
+ Summed = "Summed"
diff --git a/scripts/Diffraction/isis_powder/routines/focus.py b/scripts/Diffraction/isis_powder/routines/focus.py
index 9bc8cd09846..deaff89ff80 100644
--- a/scripts/Diffraction/isis_powder/routines/focus.py
+++ b/scripts/Diffraction/isis_powder/routines/focus.py
@@ -3,13 +3,52 @@ from __future__ import (absolute_import, division, print_function)
import mantid.simpleapi as mantid
import isis_powder.routines.common as common
+from isis_powder.routines.common_enums import InputBatchingEnum
import os
-def focus(run_number, instrument, perform_attenuation=True, perform_vanadium_norm=True):
- # Read
+def focus(run_number, instrument, input_batching, perform_attenuation=True, perform_vanadium_norm=True):
+ if input_batching.lower() == InputBatchingEnum.Individual.lower():
+ _individual_run_focusing(input_batching, instrument, perform_attenuation, perform_vanadium_norm, run_number)
+ else:
+ _batched_run_focusing(input_batching, instrument, perform_attenuation, perform_vanadium_norm, run_number)
+
+
+def _batched_run_focusing(input_batching, instrument, perform_attenuation, perform_vanadium_norm, run_number):
+ import pydevd
+ pydevd.settrace('localhost', port=51205, stdoutToServer=True, stderrToServer=True)
+ read_ws_list = common.load_current_normalised_ws_list(run_number_string=run_number,
+ input_batching=input_batching, instrument=instrument)
+ for ws in read_ws_list:
+ _focus_one_ws(ws=ws, run_number=run_number, instrument=instrument, perform_attenuation=perform_attenuation,
+ perform_vanadium_norm=perform_vanadium_norm)
+ common.remove_intermediate_workspace(ws)
+
+
+def _divide_sample_by_vanadium(instrument, run_number, input_workspace, perform_vanadium_norm):
+ processed_spectra = []
+ run_details = instrument.get_run_details(run_number=run_number)
+ num_of_banks = instrument.get_num_of_banks(run_details.instrument_version)
+ split_ws = common.extract_bank_spectra(ws_to_split=input_workspace, num_banks=num_of_banks)
+
+ if perform_vanadium_norm:
+ vanadium_ws_list = mantid.LoadNexus(Filename=run_details.splined_vanadium)
+ for focus_spectra, van_spectra in zip(split_ws, vanadium_ws_list[1:]):
+ processed_spectra.append(
+ instrument.correct_sample_vanadium(focus_spectra=focus_spectra, vanadium_spectra=van_spectra))
+ common.remove_intermediate_workspace(vanadium_ws_list[0])
+
+ else:
+ for focus_spectra in split_ws:
+ processed_spectra.append(instrument.correct_sample_vanadium(focus_spectra=focus_spectra))
+
+ for ws in split_ws:
+ common.remove_intermediate_workspace(ws)
- read_ws = common.load_current_normalised_ws(run_number_string=run_number, instrument=instrument)
+ return processed_spectra
+
+
+def _focus_one_ws(ws, run_number, instrument, perform_attenuation=True, perform_vanadium_norm=True):
# input_workspace = instrument.pearl_focus_tof_rebinning(read_ws) # Rebins for PEARL
run_details = instrument.get_run_details(run_number=run_number)
@@ -20,7 +59,7 @@ def focus(run_number, instrument, perform_attenuation=True, perform_vanadium_nor
" \n\nHave you created a vanadium calibration with these settings yet?")
# Compensate for empty sample if specified
- input_workspace = common.subtract_sample_empty(ws_to_correct=read_ws, instrument=instrument,
+ input_workspace = common.subtract_sample_empty(ws_to_correct=ws, instrument=instrument,
empty_sample_ws_string=run_details.sample_empty)
# Align / Focus
@@ -47,38 +86,23 @@ def focus(run_number, instrument, perform_attenuation=True, perform_vanadium_nor
attenuate=perform_attenuation)
# Tidy
- common.remove_intermediate_workspace(read_ws)
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(focused_ws)
- for ws in calibrated_spectra:
- common.remove_intermediate_workspace(ws)
- pass
+ common.remove_intermediate_workspace(calibrated_spectra)
return processed_nexus_files
-def _divide_sample_by_vanadium(instrument, run_number, input_workspace, perform_vanadium_norm):
- processed_spectra = []
- run_details = instrument.get_run_details(run_number=run_number)
- num_of_banks = instrument.get_num_of_banks(run_details.instrument_version)
- split_ws = common.extract_bank_spectra(ws_to_split=input_workspace, num_banks=num_of_banks)
-
- if perform_vanadium_norm:
- vanadium_ws_list = mantid.LoadNexus(Filename=run_details.splined_vanadium)
- for focus_spectra, van_spectra in zip(split_ws, vanadium_ws_list[1:]):
- processed_spectra.append(
- instrument.correct_sample_vanadium(focus_spectra=focus_spectra, vanadium_spectra=van_spectra))
- common.remove_intermediate_workspace(vanadium_ws_list[0])
-
- else:
- for focus_spectra in split_ws:
- processed_spectra.append(instrument.correct_sample_vanadium(focus_spectra=focus_spectra))
-
- for ws in split_ws:
+def _individual_run_focusing(input_batching, instrument, perform_attenuation, perform_vanadium_norm, run_number):
+ # Load and process one by one
+ run_numbers = common.generate_run_numbers(run_number_string=run_number)
+ for run in run_numbers:
+ ws = common.load_current_normalised_ws_list(run_number_string=run, instrument=instrument,
+ input_batching=input_batching)
+ _focus_one_ws(ws=ws[0], run_number=run, instrument=instrument, perform_attenuation=perform_attenuation,
+ perform_vanadium_norm=perform_vanadium_norm)
common.remove_intermediate_workspace(ws)
- return processed_spectra
-
def _apply_binning_to_spectra(spectra_list, binning_list):
if not binning_list:
--
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