diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/GEM83664.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/GEM83664.nxs.md5
deleted file mode 100644
index 356c19fa01673f8c92b71d4f66d6f0d9c3c3555f..0000000000000000000000000000000000000000
--- a/Testing/Data/SystemTest/ISIS_Powder/input/GEM83664.nxs.md5
+++ /dev/null
@@ -1 +0,0 @@
-517ea9fd7b580bfd4c7cb9f4c9eb0072
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/GEM83665.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/GEM83665.nxs.md5
deleted file mode 100644
index a3674973f0522112045898dc9e00a7462ca85c4c..0000000000000000000000000000000000000000
--- a/Testing/Data/SystemTest/ISIS_Powder/input/GEM83665.nxs.md5
+++ /dev/null
@@ -1 +0,0 @@
-1a87419df68632fc25c1f24703c71ff6
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/GEM83666.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/GEM83666.nxs.md5
deleted file mode 100644
index 3533345ba3d5e84bcb52bfad65ea0672119dad6a..0000000000000000000000000000000000000000
--- a/Testing/Data/SystemTest/ISIS_Powder/input/GEM83666.nxs.md5
+++ /dev/null
@@ -1 +0,0 @@
-233b2a1fa57ec4c9442c881b3c32f7b3
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098472.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098472.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..7410fb68407b43ee124f11794c765c59e4201d67
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098472.nxs.md5
@@ -0,0 +1 @@
+551dac3a31a837fabed1773c1eb8450c
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098472_splined.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098472_splined.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..f4ab974a4642fc878704f9ec5fd320d79dece417
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098472_splined.nxs.md5
@@ -0,0 +1 @@
+198b283578396699dccb590876668305
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098485.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098485.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..fb593ccb394fa9babb1f6fba53c7d4f3fd052edd
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098485.nxs.md5
@@ -0,0 +1 @@
+86e8967d796112353754008637bbc8d8
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098507.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098507.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..7cc3c39189554dfd3f2d24b9b4ed610ba9f36f99
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/PEARL00098507.nxs.md5
@@ -0,0 +1 @@
+641d395519e6766043bc6eaa9798fb3e
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/17_1/pearl_offset_16_4.cal.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/17_1/pearl_offset_16_4.cal.md5
new file mode 100644
index 0000000000000000000000000000000000000000..2d208f99c360f34270409c25d99c90b4be45fc7c
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/17_1/pearl_offset_16_4.cal.md5
@@ -0,0 +1 @@
+918c05da37cf50e89553164e2c6387f0
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/PRL112_DC25_10MM_FF.OUT.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/PRL112_DC25_10MM_FF.OUT.md5
new file mode 100644
index 0000000000000000000000000000000000000000..74929ed1e822ca60ebe9b9e9f0c02032d63af6fc
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/PRL112_DC25_10MM_FF.OUT.md5
@@ -0,0 +1 @@
+ef84ea197398c92bf293dc11112e01f7
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_absorp_sphere_10mm_newinst2_long.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_absorp_sphere_10mm_newinst2_long.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..e18f253d7d3955728dc0f285b2cd31bd65552a2b
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_absorp_sphere_10mm_newinst2_long.nxs.md5
@@ -0,0 +1 @@
+d1b66c634fc4e6046e8f75121b505518
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT35.cal.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT35.cal.md5
new file mode 100644
index 0000000000000000000000000000000000000000..e72dfc0f25ed749ff6db8596ed1c0c9f3c073b4b
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT35.cal.md5
@@ -0,0 +1 @@
+07b2b2ddb7c02a77b8a3633367146cd9
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT70.cal.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT70.cal.md5
new file mode 100644
index 0000000000000000000000000000000000000000..0396af0f68d35ae059e1f1decd41f095490260db
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT70.cal.md5
@@ -0,0 +1 @@
+c2efdc30a09b2faa57309bdc9274e415
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT88.cal.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT88.cal.md5
new file mode 100644
index 0000000000000000000000000000000000000000..b5f22f830b661d9ebebb862c9db6e2f977d7018d
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/pearl/pearl_group_12_1_TT88.cal.md5
@@ -0,0 +1 @@
+0fbc68bfdfba6e87dede662dbb213b2d
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/pearl_system_test_mapping.yaml.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/pearl_system_test_mapping.yaml.md5
new file mode 100644
index 0000000000000000000000000000000000000000..abab6932d59adbaede46afdd793cdc38c89bf423
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/pearl_system_test_mapping.yaml.md5
@@ -0,0 +1 @@
+f3064cb75a0f8c0238afe0f1caa6aa7d
diff --git a/Testing/SystemTests/tests/analysis/ISIS_PowderGemTest.py b/Testing/SystemTests/tests/analysis/ISIS_PowderGemTest.py
index e0d987b9166473b723cb0b8dded378321011839a..81090326c2146ccede6a84bd67f85e015add04b8 100644
--- a/Testing/SystemTests/tests/analysis/ISIS_PowderGemTest.py
+++ b/Testing/SystemTests/tests/analysis/ISIS_PowderGemTest.py
@@ -28,14 +28,14 @@ spline_rel_path = os.path.join("17_1", "VanSplined_83608_offsets_2011_cycle111b.
# Generate paths for the tests
# This implies DIRS[0] is the system test data folder
-working_folder = os.path.join(DIRS[0], working_folder_name)
+working_dir = os.path.join(DIRS[0], working_folder_name)
-input_folder = os.path.join(working_folder, input_folder_name)
-output_folder = os.path.join(working_folder, output_folder_name)
+input_dir = os.path.join(working_dir, input_folder_name)
+output_dir = os.path.join(working_dir, output_folder_name)
-calibration_map_path = os.path.join(input_folder, calibration_map_rel_path)
-calibration_folder = os.path.join(input_folder, calibration_folder_name)
-spline_path = os.path.join(calibration_folder, spline_rel_path)
+calibration_map_path = os.path.join(input_dir, calibration_map_rel_path)
+calibration_dir = os.path.join(input_dir, calibration_folder_name)
+spline_path = os.path.join(calibration_dir, spline_rel_path)
class CreateVanadiumTest(stresstesting.MantidStressTest):
@@ -51,14 +51,12 @@ class CreateVanadiumTest(stresstesting.MantidStressTest):
self.calibration_results = run_vanadium_calibration()
def validate(self):
- return calibration_validator(self, self.calibration_results)
+ return calibration_validator(self.calibration_results)
def cleanup(self):
try:
- spline_folder = os.path.join(calibration_folder, "17_1")
- _try_delete(output_folder)
- _try_delete(os.path.join(spline_folder, "VanSplined_83608_offsets_2011_cycle111b.cal.nxs"))
- _try_delete(os.path.join(spline_folder, "VanSplined_83664_offsets_2011_cycle111b.cal.nxs"))
+ _try_delete(output_dir)
+ _try_delete(spline_path)
finally:
mantid.mtd.clear()
config['datasearch.directories'] = self.existing_config
@@ -78,24 +76,23 @@ class FocusTest(stresstesting.MantidStressTest):
self.focus_results = run_focus()
def validate(self):
- return focus_validation(self, self.focus_results)
+ return focus_validation(self.focus_results)
def cleanup(self):
try:
_try_delete(spline_path)
- _try_delete(output_folder)
+ _try_delete(output_dir)
finally:
config['datasearch.directories'] = self.existing_config
mantid.mtd.clear()
def _gen_required_files():
- required_run_numbers = ["83605", "83607", "83608", # create_van : PDF mode
- "83664", "83665", "83666", # create_van : Rietveld mode
+ required_run_numbers = ["83607", "83608", # create_van : PDF mode
"83605", "83608_splined"] # File to focus (Si)
# Generate file names of form "INSTxxxxx.nxs"
- input_files = [os.path.join(input_folder, (inst_name + number + ".nxs")) for number in required_run_numbers]
+ input_files = [os.path.join(input_dir, (inst_name + number + ".nxs")) for number in required_run_numbers]
input_files.append(calibration_map_path)
return input_files
@@ -104,13 +101,10 @@ def run_vanadium_calibration():
vanadium_run = 83605 # Choose arbitrary run in the cycle 17_1
pdf_inst_obj = setup_inst_object(mode="PDF")
- rietveld_inst_obj = setup_inst_object(mode="Rietveld")
# Run create vanadium twice to ensure we get two different output splines / files
pdf_inst_obj.create_vanadium(first_cycle_run_no=vanadium_run,
do_absorb_corrections=True, multiple_scattering=False)
- rietveld_inst_obj.create_vanadium(first_cycle_run_no=vanadium_run,
- do_absorb_corrections=True, multiple_scattering=False)
# Check the spline looks good and was saved
if not os.path.exists(spline_path):
@@ -128,7 +122,7 @@ def run_focus():
# Copy the required splined file into place first (instead of relying on generated one)
splined_file_name = "GEM83608_splined.nxs"
- original_splined_path = os.path.join(input_folder, splined_file_name)
+ original_splined_path = os.path.join(input_dir, splined_file_name)
shutil.copy(original_splined_path, spline_path)
inst_object = setup_inst_object(mode="PDF")
@@ -137,17 +131,13 @@ def run_focus():
sample_empty_scale=sample_empty_scale)
-def calibration_validator(cls, results):
- _validation_setup(cls)
-
+def calibration_validator(results):
# Get the name of the grouped workspace list
reference_file_name = "ISIS_Powder-GEM-VanSplined_83608_offsets_2011_cycle111b.cal.nxs"
return _compare_ws(reference_file_name=reference_file_name, results=results)
-def focus_validation(cls, results):
- _validation_setup(cls)
-
+def focus_validation(results):
reference_file_name = "ISIS_Powder-GEM83605_FocusSempty.nxs"
return _compare_ws(reference_file_name=reference_file_name, results=results)
@@ -165,27 +155,24 @@ def _compare_ws(reference_file_name, results):
return is_valid
-def _validation_setup(cls):
- cls.disableChecking.append('Instrument')
- cls.disableChecking.append('Sample')
- cls.disableChecking.append('SpectraMap')
-
-
def setup_mantid_paths():
- config['datasearch.directories'] += ";" + input_folder
+ config['datasearch.directories'] += ";" + input_dir
def setup_inst_object(mode):
user_name = "Test"
inst_obj = Gem(user_name=user_name, calibration_mapping_file=calibration_map_path,
- calibration_directory=calibration_folder, output_directory=output_folder, mode=mode)
+ calibration_directory=calibration_dir, output_directory=output_dir, mode=mode)
return inst_obj
def _try_delete(path):
try:
# Use this instead of os.remove as we could be passed a non-empty dir
- shutil.rmtree(path)
+ if os.path.isdir(path):
+ shutil.rmtree(path)
+ else:
+ os.remove(path)
except OSError as err:
print ("Could not delete output file at: ", path)
diff --git a/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py b/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py
index d645319580e4c805588e7fd553a054fb3be2db3d..ef3c0a17aa90a57211ad08624e01233429a06b5c 100644
--- a/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py
+++ b/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py
@@ -2,95 +2,176 @@ from __future__ import (absolute_import, division, print_function)
import os
import stresstesting
+import shutil
+import mantid.simpleapi as mantid
from mantid import config
-from isis_powder.pearl import Pearl
+from isis_powder import Pearl
DIRS = config['datasearch.directories'].split(';')
+# Setup various path details
+
+inst_name = "PEARL"
+# Relative to system data folder
+working_folder_name = "ISIS_Powder"
+
+# Relative to working folder
+input_folder_name = "input"
+output_folder_name = "output"
+
+# Relative to input folder
+calibration_folder_name = os.path.join("calibration", inst_name.lower())
+calibration_map_rel_path = os.path.join("yaml_files", "pearl_system_test_mapping.yaml")
+spline_rel_path = os.path.join("17_1", "VanSplined_98472_tt70_pearl_offset_16_4.cal.nxs")
+
+# Generate paths for the tests
+# This implies DIRS[0] is the system test data folder
+working_dir = os.path.join(DIRS[0], working_folder_name)
+
+input_dir = os.path.join(working_dir, input_folder_name)
+output_dir = os.path.join(working_dir, output_folder_name)
+
+calibration_map_path = os.path.join(input_dir, calibration_map_rel_path)
+calibration_dir = os.path.join(input_dir, calibration_folder_name)
+spline_path = os.path.join(calibration_dir, spline_rel_path)
+
+
+class CreateVanadiumTest(stresstesting.MantidStressTest):
-class VanadiumCalibrationTest(stresstesting.MantidStressTest):
calibration_results = None
existing_config = config['datasearch.directories']
- # TODO
- # Test disabled whilst in development as we were having to update the reference file on a daily basis
- def skipTests(self):
- return True
-
def requiredFiles(self):
return _gen_required_files()
def runTest(self):
- self.calibration_results = _run_vanadium_calibration()
+ setup_mantid_paths()
+ self.calibration_results = run_vanadium_calibration()
def validate(self):
- return _calibration_validation(self, self.calibration_results)
+ return calibration_validator(self.calibration_results)
def cleanup(self):
- # TODO clean up reference files properly
- config['datasearch.directories'] = self.existing_config
- # _clean_up()
+ try:
+ _try_delete(output_dir)
+ _try_delete(spline_path)
+ finally:
+ mantid.mtd.clear()
+ config['datasearch.directories'] = self.existing_config
-def _calibration_validation(cls, results):
- _validation_setup(cls)
- results_group_name = results.name()
- reference_file_name = "ISIS_PowderPEARL95634-95647_Van_Cal.nxs"
- return results_group_name, reference_file_name
+class FocusTest(stresstesting.MantidStressTest):
+ focus_results = None
+ existing_config = config['datasearch.directories']
-def _validation_setup(cls):
- cls.disableChecking.append('Instrument')
- cls.disableChecking.append('Sample')
- cls.disableChecking.append('SpectraMap')
+ def requiredFiles(self):
+ return _gen_required_files()
+
+ def runTest(self):
+ # Gen vanadium calibration first
+ setup_mantid_paths()
+ self.focus_results = run_focus()
+
+ def validate(self):
+ return focus_validation(self.focus_results)
+
+ def cleanup(self):
+ try:
+ _try_delete(spline_path)
+ _try_delete(output_dir)
+ finally:
+ config['datasearch.directories'] = self.existing_config
+ mantid.mtd.clear()
def _gen_required_files():
- input_file_dir = _get_input_dir()
- van_files_names = ["PEARL000" + str(num) for num in range(95634, 95647)]
- empty_file_names = ["PEARL000" + str(num) for num in range(95648, 95654)]
+ required_run_numbers = ["98472", "98485", # create_van
+ "98507", "98472_splined"] # Focus (Si)
- required_files = []
- for van_name, empty_name in zip(van_files_names, empty_file_names):
- required_files.append(os.path.join(input_file_dir, van_name))
- required_files.append(os.path.join(input_file_dir, empty_name))
+ # Generate file names of form "INSTxxxxx.nxs" - PEARL requires 000 padding
+ input_files = [os.path.join(input_dir, (inst_name + "000" + number + ".nxs")) for number in required_run_numbers]
+ input_files.append(calibration_map_path)
+ return input_files
- return required_files
+def run_vanadium_calibration():
+ vanadium_run = 98507 # Choose arbitrary run in the cycle 17_1
-def _get_calibration_dir():
- return os.path.join(DIRS[0], "PEARL", "Calibration")
+ inst_obj = setup_inst_object(mode="tt70")
+ # Run create vanadium twice to ensure we get two different output splines / files
+ inst_obj.create_vanadium(run_in_cycle=vanadium_run, do_absorb_corrections=True)
-def _get_input_dir():
- return os.path.join(DIRS[0], "PEARL", "InputData")
+ # Check the spline looks good and was saved
+ if not os.path.exists(spline_path):
+ raise RuntimeError("Could not find output spline at the following path: " + spline_path)
+ splined_ws = mantid.Load(Filename=spline_path)
+ return splined_ws
-def _get_output_dir():
- return os.path.join(DIRS[0], "PEARL", "SystemTest_Output")
+
+def run_focus():
+ run_number = 98507
+ attenuation_file_name = "PRL112_DC25_10MM_FF.OUT"
+
+ # Copy the required splined file into place first (instead of relying on generated one)
+ splined_file_name = "PEARL00098472_splined.nxs"
+
+ attenuation_path = os.path.join(calibration_dir, attenuation_file_name)
+ original_splined_path = os.path.join(input_dir, splined_file_name)
+ shutil.copy(original_splined_path, spline_path)
+
+ inst_object = setup_inst_object(mode="tt70")
+ return inst_object.focus(run_number=run_number, vanadium_normalisation=True,
+ perform_attenuation=True, attenuation_file_path=attenuation_path,
+ focus_mode="Trans")
+
+
+def calibration_validator(results):
+ # Get the name of the grouped workspace list
+ reference_file_name = "ISIS_Powder-PEARL00098472_splined.nxs"
+ return _compare_ws(reference_file_name=reference_file_name, results=results)
+
+
+def focus_validation(results):
+ reference_file_name = "ISIS_Powder-PEARL00098507_tt70Atten.nxs"
+ return _compare_ws(reference_file_name=reference_file_name, results=results)
-def _run_vanadium_calibration():
- vanadium_runs = "95634_95647"
+def _compare_ws(reference_file_name, results):
+ ref_ws = mantid.Load(Filename=reference_file_name)
- pearl_obj = _setup_pearl_instrument(tt_mode=None)
- results = pearl_obj.create_calibration_vanadium(run_in_range=vanadium_runs, do_absorb_corrections=True,
- long_mode=False)
- return results
+ is_valid = True if len(results) > 0 else False
+ for ws, ref in zip(results, ref_ws):
+ if not (mantid.CompareWorkspaces(Workspace1=ws, Workspace2=ref)):
+ is_valid = False
+ print (ws.getName() + " was not equal to: " + ref.getName())
-def _setup_pearl_instrument(tt_mode):
+ return is_valid
+
+
+def setup_mantid_paths():
+ config['datasearch.directories'] += ";" + input_dir
+
+
+def setup_inst_object(mode):
user_name = "Test"
- calibration_mapping_file_name = "pearl_calibration.yaml"
- attenuation_file_name = "PRL112_DC25_10MM_FF.OUT"
- attenuation_file_path = os.path.join(_get_calibration_dir(), attenuation_file_name)
- calibration_map_file_path = os.path.join(_get_calibration_dir(), calibration_mapping_file_name)
- # Setup raw data directory in Mantid
- config['datasearch.directories'] += ";" + _get_input_dir()
-
- pearl_obj = Pearl(user_name=user_name, tt_mode=tt_mode, attenuation_file_name=attenuation_file_path,
- calibration_directory=_get_calibration_dir(), output_directory=_get_output_dir(),
- calibration_config_path=calibration_map_file_path)
- return pearl_obj
+
+ inst_obj = Pearl(user_name=user_name, calibration_mapping_file=calibration_map_path, long_mode=False,
+ calibration_directory=calibration_dir, output_directory=output_dir, tt_mode=mode)
+ return inst_obj
+
+
+def _try_delete(path):
+ try:
+ # Use this instead of os.remove as we could be passed a non-empty dir
+ if os.path.isdir(path):
+ shutil.rmtree(path)
+ else:
+ os.remove(path)
+ except OSError as err:
+ print ("Could not delete output file at: ", path)
diff --git a/Testing/SystemTests/tests/analysis/reference/ISIS_Powder-PEARL00098507_tt70Atten.nxs.md5 b/Testing/SystemTests/tests/analysis/reference/ISIS_Powder-PEARL00098507_tt70Atten.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..53efe00e1d478f6950a63081c460da3208dac5ac
--- /dev/null
+++ b/Testing/SystemTests/tests/analysis/reference/ISIS_Powder-PEARL00098507_tt70Atten.nxs.md5
@@ -0,0 +1 @@
+9489e6d9cfcee132c245c09580f1421a
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
index 69449cb2576f9eb11f4024b0b52e3ab971468296..77190c916d2da27aff77e470da01d320022eb7f4 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
@@ -3,6 +3,7 @@ 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 WORKSPACE_UNITS
# This file generates the various outputs for the PEARL instruments and saves them to their respective files
@@ -33,19 +34,19 @@ def _attenuate_workspace(instrument, output_file_paths, attenuated_ws):
def _focus_mode_mods(output_file_paths, calibrated_spectra):
- index = 1
append = False
output_list = []
- for ws in calibrated_spectra:
-
- mantid.SaveGSS(InputWorkspace=ws, Filename=output_file_paths["gss_filename"], Append=append, Bank=index)
- output_name = output_file_paths["output_name"] + "_mod" + str(index)
- dspacing_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name, Target="dSpacing")
+ for index, ws in enumerate(calibrated_spectra):
+ output_name = output_file_paths["output_name"] + "_mod" + str(index + 1)
+ tof_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name,
+ Target=WORKSPACE_UNITS.tof)
+ mantid.SaveGSS(InputWorkspace=tof_ws, Filename=output_file_paths["gss_filename"], Append=append, Bank=index + 1)
+ dspacing_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name,
+ Target=WORKSPACE_UNITS.d_spacing)
output_list.append(dspacing_ws)
mantid.SaveNexus(Filename=output_file_paths["nxs_filename"], InputWorkspace=dspacing_ws, Append=append)
append = True
- index += 1
return output_list
diff --git a/scripts/Diffraction/isis_powder/routines/calibrate.py b/scripts/Diffraction/isis_powder/routines/calibrate.py
index 7912d3284418d2764cc829af07e7352a587046fc..cb5700733a1cc9e81b71ee46505ec773a369d6f1 100644
--- a/scripts/Diffraction/isis_powder/routines/calibrate.py
+++ b/scripts/Diffraction/isis_powder/routines/calibrate.py
@@ -40,7 +40,7 @@ def create_van(instrument, run_details, absorb):
focused_spectra = instrument._crop_van_to_expected_tof_range(focused_spectra)
d_spacing_group, tof_group = instrument._output_focused_ws(processed_spectra=focused_spectra,
- run_details=run_details, output_mode="all")
+ run_details=run_details, output_mode="mods")
_create_vanadium_splines(focused_spectra, instrument, run_details)