diff --git a/Framework/PythonInterface/mantid/api/src/Exports/FileFinder.cpp b/Framework/PythonInterface/mantid/api/src/Exports/FileFinder.cpp
index 00cf5ee82bb6d596dfca593540cce0fe2d81562d..0431dcd3f7ccf62d52e9bf5b4adea7c072335810 100644
--- a/Framework/PythonInterface/mantid/api/src/Exports/FileFinder.cpp
+++ b/Framework/PythonInterface/mantid/api/src/Exports/FileFinder.cpp
@@ -37,6 +37,11 @@ void export_FileFinder() {
"The hint can be a comma separated list of run numbers and can also "
"include ranges of runs, e.g. 123-135 or equivalently 123-35"
"If no instrument prefix is given then the current default is used.")
+ .def("getCaseSensitive", &FileFinderImpl::getCaseSensitive, (arg("self")),
+ "Option to get if file finder should be case sensitive.")
+ .def("setCaseSensitive", &FileFinderImpl::setCaseSensitive,
+ (arg("self"), arg("cs")),
+ "Option to set if file finder should be case sensitive.")
.def("Instance", &FileFinder::Instance,
return_value_policy<reference_existing_object>(),
"Returns a reference to the FileFinder singleton instance")
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py
index bd317b23faf667e2f861be87725701b466c70e05..6a73db3139338eb2f23acedfefb832b252193730 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py
@@ -3,7 +3,7 @@ from __future__ import (absolute_import, division, print_function)
import os
-from IndirectReductionCommon import load_files
+from IndirectReductionCommon import load_files, load_file_ranges
from mantid.simpleapi import *
from mantid.api import *
@@ -128,16 +128,6 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
logger.warning('type = ' + str(type(mode)))
issues['CalFile'] = 'Cal Files are currently only available for use in OSIRIS diffspec mode'
- num_samples = len(input_files)
- num_vanadium = len(self.getProperty('VanadiumFiles').value)
- if num_samples != num_vanadium and num_vanadium != 0:
- run_num_mismatch = 'You must input the same number of sample and vanadium runs'
- issues['InputFiles'] = run_num_mismatch
- issues['VanadiumFiles'] = run_num_mismatch
-
- if self._grouping_method == 'Workspace' and self._grouping_workspace is None:
- issues['GroupingWorkspace'] = 'Must select a grouping workspace for current GroupingWorkspace'
-
return issues
# ------------------------------------------------------------------------------
@@ -163,13 +153,13 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
load_opts['Mode'] = 'FoilOut'
load_opts['LoadMonitors'] = True
- self._workspace_names, self._chopped_data = load_files(self._data_files,
- self._ipf_filename,
- self._spectra_range[0],
- self._spectra_range[1],
- sum_files=self._sum_files,
- load_logs=self._load_logs,
- load_opts=load_opts)
+ self._workspace_names, self._chopped_data = load_file_ranges(self._data_files,
+ self._ipf_filename,
+ self._spectra_range[0],
+ self._spectra_range[1],
+ sum_files=self._sum_files,
+ load_logs=self._load_logs,
+ load_opts=load_opts)
# applies the changes in the provided calibration file
self._apply_calibration()
@@ -182,10 +172,12 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
self._ipf_filename,
self._spectra_range[0],
self._spectra_range[1],
- sum_files=self._sum_files,
load_logs=self._load_logs,
load_opts=load_opts)
+ if len(self._workspace_names) > len(self._vanadium_runs):
+ raise RuntimeError("There cannot be more sample runs than vanadium runs.")
+
for index, c_ws_name in enumerate(self._workspace_names):
is_multi_frame = isinstance(mtd[c_ws_name], WorkspaceGroup)
@@ -283,13 +275,11 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
# Remove the container workspaces
if self._container_workspace is not None:
- DeleteWorkspace(self._container_workspace)
- DeleteWorkspace(self._container_workspace + '_mon')
+ self._delete_all([self._container_workspace])
+ # Remove the vanadium workspaces
if self._vanadium_ws:
- for van_ws in self._vanadium_ws:
- DeleteWorkspace(van_ws)
- DeleteWorkspace(van_ws+'_mon')
+ self._delete_all(self._vanadium_ws)
# Rename output workspaces
output_workspace_names = [rename_reduction(ws_name, self._sum_files) for ws_name in self._workspace_names]
@@ -306,7 +296,6 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
"""
Gets algorithm properties.
"""
-
self._output_ws = self.getPropertyValue('OutputWorkspace')
self._data_files = self.getProperty('InputFiles').value
self._container_data_files = self.getProperty('ContainerFiles').value
@@ -340,17 +329,10 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
self._ipf_filename = os.path.join(config['instrumentDefinition.directory'], self._ipf_filename)
logger.information('IPF filename is: %s' % self._ipf_filename)
+ if len(self._data_files) == 1:
+ logger.warning('SumFiles options has no effect when only one file is provided')
# Only enable sum files if we actually have more than one file
- sum_files = self.getProperty('SumFiles').value
- self._sum_files = False
-
- if sum_files:
- num_raw_files = len(self._data_files)
- if num_raw_files > 1:
- self._sum_files = True
- logger.information('Summing files enabled (have %d files)' % num_raw_files)
- else:
- logger.information('SumFiles options is ignored when only one file is provided')
+ self._sum_files = self.getProperty('SumFiles').value
def _apply_calibration(self):
"""
@@ -388,6 +370,19 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
Factor=scale_factor,
Operation='Multiply')
+ def _delete_all(self, workspace_names):
+ """
+ Deletes the workspaces with the specified names and their associated
+ monitor workspaces.
+
+ :param workspace_names: The names of the workspaces to delete.
+ """
+
+ for workspace_name in workspace_names:
+ DeleteWorkspace(workspace_name)
+
+ if mtd.doesExist(workspace_name + "_mon"):
+ DeleteWorkspace(workspace_name + '_mon')
# ------------------------------------------------------------------------------
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py
index 9d7821aa8ccb0b6d693d6f090214ff8c0507d183..004a3881328b716048b6cddb53e2aa21692fc316 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py
@@ -394,8 +394,9 @@ class OSIRISDiffractionReduction(PythonAlgorithm):
num_samples = len(self._sample_runs)
num_vanadium = len(self._vanadium_runs)
- if num_samples != num_vanadium:
- run_num_mismatch = 'You must input the same number of sample and vanadium runs'
+
+ if num_samples > num_vanadium:
+ run_num_mismatch = 'You must input at least as many vanadium files as sample files'
issues['Sample'] = run_num_mismatch
issues['Vanadium'] = run_num_mismatch
if self._container_files:
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReductionTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReductionTest.py
index b52b217a28e3449d524d9cb5b0c6cbe478ae8b91..181e71cb2e5bf7312202a373ec8fe439d4cb39a4 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReductionTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReductionTest.py
@@ -5,6 +5,7 @@ from __future__ import (absolute_import, division, print_function)
import unittest
from mantid.simpleapi import *
from mantid.api import *
+from mantid.kernel import config
class ISISIndirectDiffractionReductionTest(unittest.TestCase):
@@ -73,23 +74,26 @@ class ISISIndirectDiffractionReductionTest(unittest.TestCase):
"""
Test summing multiple runs.
"""
+ cs = FileFinder.Instance().getCaseSensitive()
- wks = ISISIndirectDiffractionReduction(InputFiles=['IRS26176.RAW', 'IRS26173.RAW'],
+ FileFinder.Instance().setCaseSensitive(False)
+ wks = ISISIndirectDiffractionReduction(InputFiles=['26173-26176'],
SumFiles=True,
Instrument='IRIS',
Mode='diffspec',
SpectraRange=[105, 112])
+ FileFinder.Instance().setCaseSensitive(cs)
self.assertTrue(isinstance(wks, WorkspaceGroup), 'Result workspace should be a workspace group.')
self.assertEqual(len(wks), 1)
- self.assertEqual(wks.getNames()[0], 'iris26176_multi_diffspec_red')
+ self.assertEqual(wks.getNames()[0], 'iris26173_multi_diffspec_red')
red_ws = wks[0]
self.assertEqual(red_ws.getAxis(0).getUnit().unitID(), 'dSpacing')
self.assertEqual(red_ws.getNumberHistograms(), 1)
self.assertTrue('multi_run_numbers' in red_ws.getRun())
- self.assertEqual(red_ws.getRun().get('multi_run_numbers').value, '26176,26173')
+ self.assertEqual(red_ws.getRun().get('multi_run_numbers').value, '26173,26174,26175,26176')
def test_grouping_individual(self):
"""
diff --git a/Testing/Data/UnitTest/IRS26174.RAW.md5 b/Testing/Data/UnitTest/IRS26174.RAW.md5
new file mode 100644
index 0000000000000000000000000000000000000000..a594850cef672d7bab72f3c6a4d04bb4997c68e8
--- /dev/null
+++ b/Testing/Data/UnitTest/IRS26174.RAW.md5
@@ -0,0 +1 @@
+94e0fbf798a1b3c3d8718dfe4ebcaab3
diff --git a/Testing/Data/UnitTest/IRS26175.RAW.md5 b/Testing/Data/UnitTest/IRS26175.RAW.md5
new file mode 100644
index 0000000000000000000000000000000000000000..cb46f48bc5faef6e550b2857b89abe83bb8c3245
--- /dev/null
+++ b/Testing/Data/UnitTest/IRS26175.RAW.md5
@@ -0,0 +1 @@
+019aa1211f82d2fc383dcd64e8679bb9
diff --git a/docs/source/release/v3.11.0/indirect_inelastic.rst b/docs/source/release/v3.11.0/indirect_inelastic.rst
index ce609d3618b98b0cc94c234b37da4db8a3b45324..214283d212a8a96f76cd222603cf261886cfdb85 100644
--- a/docs/source/release/v3.11.0/indirect_inelastic.rst
+++ b/docs/source/release/v3.11.0/indirect_inelastic.rst
@@ -36,18 +36,20 @@ Elwin
Bugfixes
--------
- Save Result now writes to file the temperature-dependent elastic intensity normalized to the lowest temperature.
-- Added 'ExtractMembers' property to ConvolutionFitSequential algorithm - this allows for extracting the members of the
- convolution fitting into their own workspaces.
ConvFit
~~~~~~~
+Improvements
+------------
+- Added 'ExtractMembers' property to ConvolutionFitSequential algorithm - this allows for extracting the members of the
+ convolution fitting into their own workspaces.
+
Bugfixes
--------
- Correct treatment of the resolution function: convolve sample and resolution spectra with same momentum transfer.
- Property to pass the workspace index added to :ref:`algm-ConvolutionFitSequential`.
-
MSDFit
~~~~~~
@@ -82,5 +84,10 @@ Bugfixes
- An issue has been fixed in :ref:`algm-IndirectILLEnergyTransfer` when handling the data with mirror sense, that have shifted 0 monitor counts in the left and right wings. This was causing the left and right workspaces to have different x-axis binning and to fail to sum during the unmirroring step.
- An issue has been fixed in :ref:`algm-IndirectILLReductionFWS` when the scaling of the data after vanadium calibration was not applied.
- :ref:`algm-CalculateSampleTransmission` now divides by the tabulated wavelength when calculating the absorption cross section.
+- The Sum Files option in the Indirect Diffraction Reduction interface now allows for correctly corresponding each sum of
+ sample runs defined with a range (e.g. A-B, where A and B are run numbers) to the corresponding vanadium run, dependent on D-Range.
+- The 'Sample Runs' field in the Indirect Diffraction Interface now recognizes 3 operators: '-', '+', ':'. The '-' operator is used
+ to supply a given range of runs and sum them when SumFiles is checked. The '+' operator is used to supply a given list of runs and
+ sum when SumFiles is checked. The ':' operator is used to supply a range of runs, which will never be summed.
`Full list of changes on GitHub <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.11%22+is%3Amerged+label%3A%22Component%3A+Indirect+Inelastic%22>`_
diff --git a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp
index c308dc7f5745a49606a7c14b84bdec2ae46303f3..2cb4f68f006b9263917e0012e676cda08c1429a5 100644
--- a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp
+++ b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp
@@ -112,6 +112,14 @@ void IndirectDiffractionReduction::run() {
showInformationBox("Sample files input is invalid.");
return;
}
+
+ if (mode == "diffspec" && m_uiForm.ckUseVanadium->isChecked() &&
+ m_uiForm.rfVanFile_only->getFilenames().isEmpty()) {
+ showInformationBox("Use Vanadium File checked but no vanadium files "
+ "have been supplied.");
+ return;
+ }
+
if (instName == "OSIRIS") {
if (mode == "diffonly") {
if (!validateVanCal()) {
@@ -145,7 +153,10 @@ void IndirectDiffractionReduction::algorithmComplete(bool error) {
// Handles completion of the diffraction algorithm chain
disconnect(m_batchAlgoRunner, 0, this, SLOT(algorithmComplete(bool)));
- deleteGroupingWorkspace();
+ // Delete grouping workspace, if created.
+ if (AnalysisDataService::Instance().doesExist(m_groupingWsName)) {
+ deleteGroupingWorkspace();
+ }
if (error) {
showInformationBox(
@@ -364,8 +375,7 @@ void IndirectDiffractionReduction::runGenericReduction(QString instName,
msgDiffReduction->setProperty("LoadLogFiles",
m_uiForm.ckLoadLogs->isChecked());
msgDiffReduction->setProperty(
- "InputFiles",
- m_uiForm.rfSampleFiles->getFilenames().join(",").toStdString());
+ "InputFiles", m_uiForm.rfSampleFiles->getText().toStdString());
msgDiffReduction->setProperty("SpectraRange", detRange);
msgDiffReduction->setProperty("RebinParam", rebin.toStdString());
msgDiffReduction->setProperty("OutputWorkspace",
diff --git a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui
index 8d3d4515b75d0b5b54e3c06d52c8c5e34305976a..c2976d71c034093ac323d6d69aaae2ab76a240f2 100644
--- a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui
+++ b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui
@@ -97,7 +97,7 @@
<item row="2" column="2">
<widget class="QCheckBox" name="ckSumFiles">
<property name="text">
- <string>Sum Files</string>
+ <string>Sum Sample Files</string>
</property>
</widget>
</item>
@@ -201,7 +201,7 @@
<item row="5" column="0">
<widget class="QCheckBox" name="ckManualDRange">
<property name="text">
- <string>Manual dRange:</string>
+ <string>Manual dRange (Vanadium):</string>
</property>
</widget>
</item>
diff --git a/scripts/Inelastic/IndirectReductionCommon.py b/scripts/Inelastic/IndirectReductionCommon.py
index a361510a0592860a597946b6619d696aef463266..7071860b05b5fd2749c68e14ff32a8c14a528234 100644
--- a/scripts/Inelastic/IndirectReductionCommon.py
+++ b/scripts/Inelastic/IndirectReductionCommon.py
@@ -1,4 +1,5 @@
from __future__ import (absolute_import, division, print_function)
+from mantid.simpleapi import Load
from mantid.api import WorkspaceGroup, AlgorithmManager
from mantid import mtd, logger, config
@@ -8,6 +9,80 @@ import numpy as np
# -------------------------------------------------------------------------------
+def create_range_from(range_str, delimiter):
+ """
+ Creates a range from the specified string, by splitting by the specified
+ delimiter.
+
+ :param range_str: The range string, in the format A-B where A is the lower
+ bound of the range, - is the delimiter and B is the upper
+ bound of the range.
+ :param delimiter: The range delimiter.
+ :return: The range created from the range string.
+ """
+ lower, upper = range_str.split(delimiter, 1)
+ return range(int(lower), int(upper)+1)
+
+
+def create_file_range_parser(instrument):
+ """
+ Creates a parser which takes a specified file range string of the
+ format A-B, and returns a list of the files in that range preceded
+ by the specified instrument name.
+
+ :param instrument: The instrument name.
+ :return: A file range parser.
+ """
+
+ def parser(file_range):
+ file_range = file_range.strip()
+ # Check whether this is a range or single file
+ if '-' in file_range:
+ return [[instrument + str(run) for run in create_range_from(file_range, '-')]]
+ elif ':' in file_range:
+ return [[instrument + str(run)] for run in create_range_from(file_range, ':')]
+ elif '+' in file_range:
+ return [[instrument + run for run in file_range.split('+')]]
+ else:
+ try:
+ return [[instrument + str(int(file_range))]]
+ except ValueError:
+ return [[file_range]]
+
+ return parser
+
+
+def load_file_ranges(file_ranges, ipf_filename, spec_min, spec_max, sum_files=True, load_logs=True, load_opts=None):
+ """
+ Loads a set of files from specified file ranges and extracts just the spectra we
+ care about (i.e. detector range and monitor).
+
+ @param file_ranges List of data file ranges
+ @param ipf_filename File path/name for the instrument parameter file to load
+ @param spec_min Minimum spectra ID to load
+ @param spec_max Maximum spectra ID to load
+ @param sum_files Sum loaded files
+ @param load_logs Load log files when loading runs
+ @param load_opts Additional options to be passed to load algorithm
+
+ @return List of loaded workspace names and flag indicating chopped data
+ """
+ instrument = os.path.splitext(os.path.basename(ipf_filename))[0]
+ instrument = instrument.split('_')[0]
+ parse_file_range = create_file_range_parser(instrument)
+ file_ranges = [file_range for range_str in file_ranges for file_range in range_str.split(',')]
+ file_groups = [file_group for file_range in file_ranges for file_group in parse_file_range(file_range)]
+
+ workspace_names = []
+ chopped_data = False
+
+ for file_group in file_groups:
+ created_workspaces, chopped_data = load_files(file_group, ipf_filename, spec_min,
+ spec_max, sum_files, load_logs, load_opts)
+ workspace_names.extend(created_workspaces)
+
+ return workspace_names, chopped_data
+
def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, load_logs=True, load_opts=None):
"""
@@ -23,9 +98,33 @@ def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, lo
@return List of loaded workspace names and flag indicating chopped data
"""
- from mantid.simpleapi import (Load, LoadVesuvio, LoadParameterFile,
- ChopData, ExtractSingleSpectrum,
- CropWorkspace, DeleteWorkspace)
+ workspace_names, chopped_data = _load_files(data_files, ipf_filename, spec_min, spec_max, load_logs, load_opts)
+
+ # Sum files if needed
+ if sum_files and len(data_files) > 1:
+ if chopped_data:
+ workspace_names = sum_chopped_runs(workspace_names)
+ else:
+ workspace_names = sum_regular_runs(workspace_names)
+
+ logger.information('Summed workspace names: %s' % (str(workspace_names)))
+
+ return workspace_names, chopped_data
+
+
+def _load_files(file_specifiers, ipf_filename, spec_min, spec_max, load_logs=True, load_opts=None):
+ """
+ Loads a set of files and extracts just the spectra we care about (i.e. detector range and monitor).
+
+ @param file_specifiers List of data file specifiers
+ @param ipf_filename File path/name for the instrument parameter file to load
+ @param spec_min Minimum spectra ID to load
+ @param spec_max Maximum spectra ID to load
+ @param load_logs Load log files when loading runs
+ @param load_opts Additional options to be passed to load algorithm
+
+ @return List of loaded workspace names and flag indicating chopped data
+ """
delete_monitors = False
if load_opts is None:
@@ -36,93 +135,146 @@ def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, lo
load_opts.pop("DeleteMonitors")
workspace_names = []
+ chopped_data = False
- for filename in data_files:
+ for file_specifier in file_specifiers:
# The filename without path and extension will be the workspace name
- ws_name = os.path.splitext(os.path.basename(str(filename)))[0]
- logger.debug('Loading file %s as workspace %s' % (filename, ws_name))
-
- if 'VESUVIO' in ipf_filename:
- # Load all spectra. They are cropped later
- LoadVesuvio(Filename=str(filename),
- OutputWorkspace=ws_name,
- SpectrumList='1-198',
- **load_opts)
- else:
- Load(Filename=filename,
- OutputWorkspace=ws_name,
- LoadLogFiles=load_logs,
- **load_opts)
-
- # Load the instrument parameters
- LoadParameterFile(Workspace=ws_name,
- Filename=ipf_filename)
+ ws_name = os.path.splitext(os.path.basename(str(file_specifier)))[0]
+ logger.debug('Loading file %s as workspace %s' % (file_specifier, ws_name))
+ do_load(file_specifier, ws_name, ipf_filename, load_logs, load_opts)
+ workspace = mtd[ws_name]
# Add the workspace to the list of workspaces
workspace_names.append(ws_name)
# Get the spectrum number for the monitor
- instrument = mtd[ws_name].getInstrument()
- monitor_index = int(instrument.getNumberParameter('Workflow.Monitor1-SpectrumNumber')[0])
- logger.debug('Workspace %s monitor 1 spectrum number :%d' % (ws_name, monitor_index))
+ instrument = workspace.getInstrument()
+ monitor_param = instrument.getNumberParameter('Workflow.Monitor1-SpectrumNumber')
- # Chop data if required
- try:
- chop_threshold = mtd[ws_name].getInstrument().getNumberParameter('Workflow.ChopDataIfGreaterThan')[0]
- x_max = mtd[ws_name].readX(0)[-1]
- chopped_data = x_max > chop_threshold
- except IndexError:
- chopped_data = False
- logger.information('Workspace {0} need data chop: {1}'.format(ws_name, str(chopped_data)))
+ if monitor_param:
+ monitor_index = int(monitor_param[0])
+ logger.debug('Workspace %s monitor 1 spectrum number :%d' % (ws_name, monitor_index))
- workspaces = [ws_name]
- if chopped_data:
- ChopData(InputWorkspace=ws_name,
- OutputWorkspace=ws_name,
- MonitorWorkspaceIndex=monitor_index,
- IntegrationRangeLower=5000.0,
- IntegrationRangeUpper=10000.0,
- NChops=5)
- workspaces = mtd[ws_name].getNames()
-
- for chop_ws_name in workspaces:
- # Get the monitor spectrum
- monitor_ws_name = chop_ws_name + '_mon'
- ExtractSingleSpectrum(InputWorkspace=chop_ws_name,
- OutputWorkspace=monitor_ws_name,
- WorkspaceIndex=monitor_index)
-
- if delete_monitors:
- DeleteWorkspace(Workspace=monitor_ws_name)
-
- # Crop to the detectors required
- chop_ws = mtd[chop_ws_name]
- CropWorkspace(InputWorkspace=chop_ws_name,
- OutputWorkspace=chop_ws_name,
- StartWorkspaceIndex=chop_ws.getIndexFromSpectrumNumber(int(spec_min)),
- EndWorkspaceIndex=chop_ws.getIndexFromSpectrumNumber(int(spec_max)))
+ workspaces, chopped_data = chop_workspace(workspace, monitor_index)
+ crop_workspaces(workspaces, spec_min, spec_max, not delete_monitors, monitor_index)
logger.information('Loaded workspace names: %s' % (str(workspace_names)))
logger.information('Chopped data: %s' % (str(chopped_data)))
- # Sum files if needed
- if sum_files and len(data_files) > 1:
- if chopped_data:
- workspace_names = sum_chopped_runs(workspace_names)
- else:
- workspace_names = sum_regular_runs(workspace_names)
-
if delete_monitors:
load_opts['DeleteMonitors'] = True
- logger.information('Summed workspace names: %s' % (str(workspace_names)))
-
return workspace_names, chopped_data
# -------------------------------------------------------------------------------
+def do_load(file_specifier, output_ws_name, ipf_filename, load_logs, load_opts):
+ """
+ Loads the files, passing the given file specifier in the load command.
+
+ :param file_specifier: The file specifier (single file, range or sum)
+ :param output_ws_name: The name of the output workspace to create
+ :param ipf_filename: The instrument parameter file to load with
+ :param load_opts: Additional loading options
+ :param load_logs: If True, load logs
+ """
+ from mantid.simpleapi import LoadVesuvio, LoadParameterFile
+
+ if 'VESUVIO' in ipf_filename:
+ # Load all spectra. They are cropped later
+ LoadVesuvio(Filename=str(file_specifier),
+ OutputWorkspace=output_ws_name,
+ SpectrumList='1-198',
+ **load_opts)
+ else:
+ Load(Filename=file_specifier,
+ OutputWorkspace=output_ws_name,
+ LoadLogFiles=load_logs,
+ **load_opts)
+
+ # Load the instrument parameters
+ LoadParameterFile(Workspace=output_ws_name,
+ Filename=ipf_filename)
+
+
+# -------------------------------------------------------------------------------
+
+
+def chop_workspace(workspace, monitor_index):
+ """
+ Chops the specified workspace if its maximum x-value exceeds its instrument
+ parameter, 'Workflow.ChopDataIfGreaterThan'.
+
+ :param workspace: The workspace to chop
+ :param monitor_index: The index of the monitor spectra in the workspace.
+ :return: A tuple of the list of output workspace names and a boolean
+ specifying whether the workspace was chopped.
+ """
+ from mantid.simpleapi import ChopData
+
+ workspace_name = workspace.getName()
+
+ # Chop data if required
+ try:
+ chop_threshold = workspace.getInstrument().getNumberParameter('Workflow.ChopDataIfGreaterThan')[0]
+ x_max = workspace.readX(0)[-1]
+ chopped_data = x_max > chop_threshold
+ except IndexError:
+ logger.warning("Chop threshold not found in instrument parameters")
+ chopped_data = False
+ logger.information('Workspace {0} need data chop: {1}'.format(workspace_name, str(chopped_data)))
+
+ if chopped_data:
+ ChopData(InputWorkspace=workspace,
+ OutputWorkspace=workspace_name,
+ MonitorWorkspaceIndex=monitor_index,
+ IntegrationRangeLower=5000.0,
+ IntegrationRangeUpper=10000.0,
+ NChops=5)
+ return mtd[workspace_name].getNames(), True
+ else:
+ return [workspace_name], False
+
+
+# -------------------------------------------------------------------------------
+
+
+def crop_workspaces(workspace_names, spec_min, spec_max, extract_monitors=True, monitor_index=0):
+ """
+ Crops the workspaces with the specified workspace names, from the specified minimum
+ spectra to the specified maximum spectra.
+
+ :param workspace_names: The names of the workspaces to crop
+ :param spec_min: The minimum spectra of the cropping region
+ :param spec_max: The maximum spectra of the cropping region
+ :param extract_monitors: If True, extracts monitors from the workspaces
+ :param monitor_index: The index of the monitors in the workspaces
+ """
+ from mantid.simpleapi import ExtractSingleSpectrum, CropWorkspace
+
+ for workspace_name in workspace_names:
+
+ if extract_monitors:
+ # Get the monitor spectrum
+ monitor_ws_name = workspace_name + '_mon'
+ ExtractSingleSpectrum(InputWorkspace=workspace_name,
+ OutputWorkspace=monitor_ws_name,
+ WorkspaceIndex=monitor_index)
+
+ # Crop to the detectors required
+ workspace = mtd[workspace_name]
+
+ CropWorkspace(InputWorkspace=workspace_name,
+ OutputWorkspace=workspace_name,
+ StartWorkspaceIndex=workspace.getIndexFromSpectrumNumber(int(spec_min)),
+ EndWorkspaceIndex=workspace.getIndexFromSpectrumNumber(int(spec_max)))
+
+
+# -------------------------------------------------------------------------------
+
+
def sum_regular_runs(workspace_names):
"""
Sum runs with single workspace data.