From a221d192a258f6654837e6008c294a9029492d30 Mon Sep 17 00:00:00 2001
From: David Fairbrother <DavidFair@users.noreply.github.com>
Date: Fri, 17 Feb 2017 17:48:13 +0000
Subject: [PATCH] Re #18643 Implement output for GEM Calibration
---
.../Diffraction/isis_powder/abstract_inst.py | 11 +++-
scripts/Diffraction/isis_powder/gem.py | 2 +-
.../isis_powder/gem_routines/gem_algs.py | 5 ++
.../isis_powder/pearl_routines/pearl_algs.py | 16 ++----
scripts/Diffraction/isis_powder/polaris.py | 19 +------
.../polaris_routines/polaris_algs.py | 36 ++-----------
.../polaris_routines/polaris_output.py | 30 -----------
.../isis_powder/routines/calibrate.py | 1 +
.../isis_powder/routines/common.py | 17 +++++++
.../isis_powder/routines/common_output.py | 51 +++++++++++++++++++
10 files changed, 95 insertions(+), 93 deletions(-)
delete mode 100644 scripts/Diffraction/isis_powder/polaris_routines/polaris_output.py
create mode 100644 scripts/Diffraction/isis_powder/routines/common_output.py
diff --git a/scripts/Diffraction/isis_powder/abstract_inst.py b/scripts/Diffraction/isis_powder/abstract_inst.py
index daa33153ab7..0d3718a2a04 100644
--- a/scripts/Diffraction/isis_powder/abstract_inst.py
+++ b/scripts/Diffraction/isis_powder/abstract_inst.py
@@ -1,7 +1,7 @@
from __future__ import (absolute_import, division, print_function)
import os
-from isis_powder.routines import calibrate, focus, common, common_enums
+from isis_powder.routines import calibrate, focus, common, common_enums, common_output
# This class provides common hooks for instruments to override
@@ -193,7 +193,14 @@ class AbstractInst(object):
:param output_mode: Optional - Sets additional saving/grouping behaviour depending on the instrument
:return: d-spacing group of the processed output workspaces
"""
- return None
+ d_spacing_group, tof_group = common_output.split_into_tof_d_spacing_groups(run_details=run_details,
+ processed_spectra=processed_spectra)
+ output_paths = self._generate_out_file_paths(run_details=run_details)
+
+ common_output.save_focused_data(d_spacing_group=d_spacing_group, tof_group=tof_group,
+ output_paths=output_paths, inst_prefix="POL",
+ run_number_string=run_details.user_input_run_number)
+ return d_spacing_group
# Steps applicable to all instruments
diff --git a/scripts/Diffraction/isis_powder/gem.py b/scripts/Diffraction/isis_powder/gem.py
index 773c575c9fc..c7cba00a89e 100644
--- a/scripts/Diffraction/isis_powder/gem.py
+++ b/scripts/Diffraction/isis_powder/gem.py
@@ -42,7 +42,7 @@ class Gem(AbstractInst):
raise NotImplementedError()
def _generate_output_file_name(self, run_number_string):
- raise NotImplementedError()
+ return self._generate_input_file_name(run_number_string)
@staticmethod
def _generate_input_file_name(run_number):
diff --git a/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py b/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
index b6935fc26bc..f5001cca8c7 100644
--- a/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
+++ b/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
@@ -21,7 +21,10 @@ def get_run_details(run_number_string, inst_settings):
calibration_folder = os.path.normpath(os.path.expanduser(inst_settings.calibration_dir))
label_calibration_folder = os.path.join(calibration_folder, label)
+ splined_vanadium_name = common.generate_splined_name(vanadium_runs, offset_file_name)
+
offset_file_path = os.path.join(label_calibration_folder, offset_file_name)
+ splined_file_path = os.path.join(label_calibration_folder, splined_vanadium_name)
# TODO generate splined vanadium name from common
@@ -34,4 +37,6 @@ def get_run_details(run_number_string, inst_settings):
run_details.grouping_file_path = offset_file_path
run_details.offset_file_path = offset_file_path
+ run_details.splined_vanadium_file_path = splined_file_path
+
return run_details
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
index 021f8861574..770159e86d2 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
@@ -79,10 +79,11 @@ def get_run_details(run_number_string, inst_settings):
label = common.cal_map_dictionary_key_helper(mapping_dict, "label")
vanadium_run_numbers = common.cal_map_dictionary_key_helper(mapping_dict, "vanadium_run_numbers")
- splined_vanadium_name = _generate_splined_van_name(absorb_on=inst_settings.absorb_corrections,
- vanadium_run_string=vanadium_run_numbers,
- long_mode_on=inst_settings.long_mode,
- tt_mode=inst_settings.tt_mode)
+ # Use generate out name to provide the unique fingerprint for this file
+ splined_vanadium_name = common.generate_splined_name(
+ generate_out_name(run_number_string=vanadium_run_numbers,
+ absorb_on=inst_settings.absorb_corrections,
+ long_mode_on=inst_settings.long_mode, tt_mode=inst_settings.tt_mode))
calibration_dir = inst_settings.calibration_dir
cycle_calibration_dir = os.path.join(calibration_dir, label)
@@ -158,10 +159,3 @@ def strip_bragg_peaks(ws_list_to_correct):
OutputWorkspace=ws_list_to_correct[13], FWHM=60, Tolerance=10)
return ws_list_to_correct
-
-
-def _generate_splined_van_name(vanadium_run_string, absorb_on, long_mode_on, tt_mode):
- generated_out_name = generate_out_name(run_number_string=vanadium_run_string, absorb_on=absorb_on,
- long_mode_on=long_mode_on, tt_mode=tt_mode)
- output_string = "SplinedVan_" + generated_out_name + ".nxs"
- return output_string
diff --git a/scripts/Diffraction/isis_powder/polaris.py b/scripts/Diffraction/isis_powder/polaris.py
index 833cfccc071..32352f86eba 100644
--- a/scripts/Diffraction/isis_powder/polaris.py
+++ b/scripts/Diffraction/isis_powder/polaris.py
@@ -2,12 +2,9 @@ from __future__ import (absolute_import, division, print_function)
import os
-import mantid.simpleapi as mantid
-
-import isis_powder.routines.common as common
-from isis_powder.routines import yaml_parser, InstrumentSettings
+from isis_powder.routines import common, common_output, InstrumentSettings, yaml_parser
from isis_powder.abstract_inst import AbstractInst
-from isis_powder.polaris_routines import polaris_advanced_config, polaris_algs, polaris_output, polaris_param_mapping
+from isis_powder.polaris_routines import polaris_advanced_config, polaris_algs, polaris_param_mapping
class Polaris(AbstractInst):
@@ -41,7 +38,6 @@ class Polaris(AbstractInst):
do_absorb_corrections=self._inst_settings.do_absorb_corrections)
# Overrides
-
def _apply_absorb_corrections(self, run_details, van_ws):
return polaris_algs.calculate_absorb_corrections(ws_to_correct=van_ws,
multiple_scattering=self._inst_settings.multiple_scattering)
@@ -117,14 +113,3 @@ class Polaris(AbstractInst):
spline_number=spline_coeff,
mask_path=masking_file_path)
return output
-
- def _output_focused_ws(self, processed_spectra, run_details, output_mode=None):
- d_spacing_group, tof_group = polaris_algs.split_into_tof_d_spacing_groups(run_details=run_details,
- processed_spectra=processed_spectra)
- output_paths = self._generate_out_file_paths(run_details=run_details)
-
- polaris_output.save_polaris_focused_data(d_spacing_group=d_spacing_group, tof_group=tof_group,
- output_paths=output_paths,
- run_number_string=run_details.user_input_run_number)
- return d_spacing_group
-
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index e410ec51f07..77824e200ba 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -47,10 +47,11 @@ def get_run_details(run_number_string, inst_settings):
in_calib_dir = os.path.join(inst_settings.calibration_dir, label)
offsets_file_full_path = os.path.join(in_calib_dir, offset_file_name)
+
# Generate the name of the splined file we will either be loading or saving
- splined_vanadium_name = _generate_splined_van_filename(chopper_on=inst_settings.chopper_on,
- vanadium_run_string=vanadium_runs,
- offset_file_name=offset_file_name)
+ chopper_status = "On" if inst_settings.chopper_on else "Off"
+ splined_vanadium_name = common.generate_splined_name(vanadium_runs, chopper_status, offset_file_name)
+
splined_vanadium = os.path.join(in_calib_dir, splined_vanadium_name)
run_details = RunDetails(run_number=run_number)
@@ -66,27 +67,6 @@ def get_run_details(run_number_string, inst_settings):
return run_details
-def split_into_tof_d_spacing_groups(run_details, processed_spectra):
- d_spacing_output = []
- tof_output = []
- run_number = str(run_details.user_input_run_number)
- for name_index, ws in enumerate(processed_spectra):
- d_spacing_out_name = run_number + "-ResultD-" + str(name_index + 1)
- tof_out_name = run_number + "-ResultTOF-" + str(name_index + 1)
-
- d_spacing_output.append(mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=d_spacing_out_name,
- Target="dSpacing"))
- tof_output.append(mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=tof_out_name, Target="TOF"))
-
- # Group the outputs
- d_spacing_group_name = run_number + "-Results-D-Grp"
- d_spacing_group = mantid.GroupWorkspaces(InputWorkspaces=d_spacing_output, OutputWorkspace=d_spacing_group_name)
- tof_group_name = run_number + "-Results-TOF-Grp"
- tof_group = mantid.GroupWorkspaces(InputWorkspaces=tof_output, OutputWorkspace=tof_group_name)
-
- return d_spacing_group, tof_group
-
-
def process_vanadium_for_focusing(bank_spectra, mask_path, spline_number):
bragg_masking_list = _read_masking_file(mask_path)
masked_workspace_list = _apply_bragg_peaks_masking(bank_spectra, mask_list=bragg_masking_list)
@@ -108,14 +88,6 @@ def _apply_bragg_peaks_masking(workspaces_to_mask, mask_list):
return output_workspaces
-def _generate_splined_van_filename(chopper_on, vanadium_run_string, offset_file_name):
- output_string = "SplinedVan_" + str(vanadium_run_string) + "_chopper"
- output_string += "On" if chopper_on else "Off"
- output_string += '_' + offset_file_name
- output_string += ".nxs"
- return output_string
-
-
def _read_masking_file(masking_file_path):
all_banks_masking_list = []
bank_masking_list = []
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_output.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_output.py
deleted file mode 100644
index bb9997c1757..00000000000
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_output.py
+++ /dev/null
@@ -1,30 +0,0 @@
-from __future__ import (absolute_import, division, print_function)
-
-import mantid.simpleapi as mantid
-import os
-
-
-def save_polaris_focused_data(d_spacing_group, tof_group, output_paths, run_number_string):
- mantid.SaveGSS(InputWorkspace=tof_group, Filename=output_paths["gss_filename"], SplitFiles=False, Append=False)
- mantid.SaveNexusProcessed(InputWorkspace=tof_group, Filename=output_paths["nxs_filename"], Append=False)
-
- dat_folder_name = "dat_files"
- dat_file_destination = os.path.join(output_paths["output_folder"], dat_folder_name)
- if not os.path.exists(dat_file_destination):
- os.makedirs(dat_file_destination)
-
- _save_xye(ws_group=d_spacing_group, ws_units="d", run_number=run_number_string,
- output_folder=dat_file_destination)
- _save_xye(ws_group=tof_group, ws_units="TOF", run_number=run_number_string,
- output_folder=dat_file_destination)
-
-
-def _save_xye(ws_group, ws_units, run_number, output_folder):
- bank_index = 1
- prefix_filename = "POL" + str(run_number)
- for ws in ws_group:
- outfile_name = prefix_filename + "-b_" + str(bank_index) + "-" + ws_units + ".dat"
- bank_index += 1
- full_file_path = os.path.join(output_folder, outfile_name)
-
- mantid.SaveFocusedXYE(InputWorkspace=ws, Filename=full_file_path, SplitFiles=False, IncludeHeader=False)
diff --git a/scripts/Diffraction/isis_powder/routines/calibrate.py b/scripts/Diffraction/isis_powder/routines/calibrate.py
index e0e00e2bb66..58e5d913b93 100644
--- a/scripts/Diffraction/isis_powder/routines/calibrate.py
+++ b/scripts/Diffraction/isis_powder/routines/calibrate.py
@@ -52,6 +52,7 @@ def _create_vanadium_splines(focused_spectra, instrument, run_details):
for ws in splined_ws_list:
mantid.SaveNexus(Filename=out_spline_van_file_path, InputWorkspace=ws, Append=append)
append = True
+ # Group for user convenience
mantid.GroupWorkspaces(InputWorkspaces=splined_ws_list, OutputWorkspace="Van_spline_data")
diff --git a/scripts/Diffraction/isis_powder/routines/common.py b/scripts/Diffraction/isis_powder/routines/common.py
index 939b5dba995..7d951e2c1fd 100644
--- a/scripts/Diffraction/isis_powder/routines/common.py
+++ b/scripts/Diffraction/isis_powder/routines/common.py
@@ -134,6 +134,23 @@ def generate_run_numbers(run_number_string):
return run_list
+def generate_splined_name(vanadium_string, *args):
+ """
+ Generates a unique splined vanadium name which encapsulates
+ any properties passed into this method so that the vanadium
+ can be later loaded.
+ :param vanadium_string: The name of this vanadium run
+ :param args: Any identifying properties to append to the name
+ :return: The splined vanadium name
+ """
+ out_name = "VanSplined" + '_' + str(vanadium_string)
+ for value in args:
+ out_name += '_' + str(value)
+
+ out_name += ".nxs"
+ return out_name
+
+
def get_first_run_number(run_number_string):
"""
Takes a run number string and returns the first user specified run from that string
diff --git a/scripts/Diffraction/isis_powder/routines/common_output.py b/scripts/Diffraction/isis_powder/routines/common_output.py
new file mode 100644
index 00000000000..e1870604f7a
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/routines/common_output.py
@@ -0,0 +1,51 @@
+from __future__ import (absolute_import, division, print_function)
+
+import mantid.simpleapi as mantid
+import os
+
+
+def split_into_tof_d_spacing_groups(run_details, processed_spectra):
+ d_spacing_output = []
+ tof_output = []
+ run_number = str(run_details.user_input_run_number)
+ for name_index, ws in enumerate(processed_spectra):
+ d_spacing_out_name = run_number + "-ResultD-" + str(name_index + 1)
+ tof_out_name = run_number + "-ResultTOF-" + str(name_index + 1)
+
+ d_spacing_output.append(mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=d_spacing_out_name,
+ Target="dSpacing"))
+ tof_output.append(mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=tof_out_name, Target="TOF"))
+
+ # Group the outputs
+ d_spacing_group_name = run_number + "-Results-D-Grp"
+ d_spacing_group = mantid.GroupWorkspaces(InputWorkspaces=d_spacing_output, OutputWorkspace=d_spacing_group_name)
+ tof_group_name = run_number + "-Results-TOF-Grp"
+ tof_group = mantid.GroupWorkspaces(InputWorkspaces=tof_output, OutputWorkspace=tof_group_name)
+
+ return d_spacing_group, tof_group
+
+
+def save_focused_data(d_spacing_group, tof_group, output_paths, run_number_string, inst_prefix):
+ mantid.SaveGSS(InputWorkspace=tof_group, Filename=output_paths["gss_filename"], SplitFiles=False, Append=False)
+ mantid.SaveNexusProcessed(InputWorkspace=tof_group, Filename=output_paths["nxs_filename"], Append=False)
+
+ dat_folder_name = "dat_files"
+ dat_file_destination = os.path.join(output_paths["output_folder"], dat_folder_name)
+ if not os.path.exists(dat_file_destination):
+ os.makedirs(dat_file_destination)
+
+ _save_xye(ws_group=d_spacing_group, ws_units="d", run_number=run_number_string,
+ output_folder=dat_file_destination, inst_prefix=inst_prefix)
+ _save_xye(ws_group=tof_group, ws_units="TOF", run_number=run_number_string,
+ output_folder=dat_file_destination, inst_prefix=inst_prefix)
+
+
+def _save_xye(ws_group, ws_units, run_number, output_folder, inst_prefix):
+ bank_index = 1
+ prefix_filename = str(inst_prefix) + str(run_number)
+ for ws in ws_group:
+ outfile_name = prefix_filename + "-b_" + str(bank_index) + "-" + ws_units + ".dat"
+ bank_index += 1
+ full_file_path = os.path.join(output_folder, outfile_name)
+
+ mantid.SaveFocusedXYE(InputWorkspace=ws, Filename=full_file_path, SplitFiles=False, IncludeHeader=False)
--
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