diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCalibration.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCalibration.py
index e0b2ddb9cf82e0e26278a0310464c70db097232f..339b87bcf750e4d16cc05d3d57f8e904f0504a51 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCalibration.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCalibration.py
@@ -1,4 +1,4 @@
-#pylint: disable=no-init
+#pylint: disable=no-init,too-many-instance-attributes
from mantid.kernel import *
from mantid.api import *
from mantid.simpleapi import *
@@ -15,6 +15,7 @@ class IndirectCalibration(DataProcessorAlgorithm):
_spec_range = None
_intensity_scale = None
_plot = None
+ _run_numbers = None
def category(self):
@@ -29,16 +30,19 @@ class IndirectCalibration(DataProcessorAlgorithm):
self.declareProperty(StringArrayProperty(name='InputFiles'),
doc='Comma separated list of input files')
- self.declareProperty(IntArrayProperty(name='DetectorRange', values=[0, 1],\
- validator=IntArrayMandatoryValidator()),
+ self.declareProperty(IntArrayProperty(name='DetectorRange',
+ values=[0, 1],
+ validator=IntArrayMandatoryValidator()),
doc='Range of detectors.')
- self.declareProperty(FloatArrayProperty(name='PeakRange', values=[0.0, 100.0],\
- validator=FloatArrayMandatoryValidator()),
+ self.declareProperty(FloatArrayProperty(name='PeakRange',
+ values=[0.0, 100.0],
+ validator=FloatArrayMandatoryValidator()),
doc='Time of flight range over the peak.')
- self.declareProperty(FloatArrayProperty(name='BackgroundRange', values=[0.0, 1000.0],\
- validator=FloatArrayMandatoryValidator()),
+ self.declareProperty(FloatArrayProperty(name='BackgroundRange',
+ values=[0.0, 1000.0],
+ validator=FloatArrayMandatoryValidator()),
doc='Time of flight range over the background.')
self.declareProperty(name='ScaleFactor', defaultValue=1.0,
@@ -48,11 +52,10 @@ class IndirectCalibration(DataProcessorAlgorithm):
doc='Plot the calibration data as a spectra plot.')
self.declareProperty(WorkspaceProperty('OutputWorkspace', '',
- direction=Direction.Output),
+ direction=Direction.Output),
doc='Output workspace for calibration data.')
-
def validateInputs(self):
"""
Validates input ranges.
@@ -86,58 +89,82 @@ class IndirectCalibration(DataProcessorAlgorithm):
def PyExec(self):
from mantid import logger
+ from IndirectCommon import getInstrRun
self._setup()
runs = []
+ self._run_numbers = list()
for in_file in self._input_files:
(_, filename) = os.path.split(in_file)
(root, _) = os.path.splitext(filename)
try:
- Load(Filename=in_file, OutputWorkspace=root,\
- SpectrumMin=int(self._spec_range[0]), SpectrumMax=int(self._spec_range[1]),\
- LoadLogFiles=False)
+ Load(Filename=in_file,
+ OutputWorkspace=root,
+ SpectrumMin=int(self._spec_range[0]),
+ SpectrumMax=int(self._spec_range[1]),
+ LoadLogFiles=False)
+
runs.append(root)
+ self._run_numbers.append(str(getInstrRun(root)[1]))
+
except Exception as exc:
logger.error('Could not load raw file "%s": %s' % (in_file, str(exc)))
calib_ws_name = 'calibration'
if len(runs) > 1:
- MergeRuns(InputWorkspaces=",".join(runs), OutputWorkspace=calib_ws_name)
+ MergeRuns(InputWorkspaces=",".join(runs),
+ OutputWorkspace=calib_ws_name)
factor = 1.0 / len(runs)
- Scale(InputWorkspace=calib_ws_name, OutputWorkspace=calib_ws_name, Factor=factor)
+ Scale(InputWorkspace=calib_ws_name,
+ OutputWorkspace=calib_ws_name,
+ Factor=factor)
else:
calib_ws_name = runs[0]
- CalculateFlatBackground(InputWorkspace=calib_ws_name, OutputWorkspace=calib_ws_name,
- StartX=self._back_range[0], EndX=self._back_range[1], Mode='Mean')
+ CalculateFlatBackground(InputWorkspace=calib_ws_name,
+ OutputWorkspace=calib_ws_name,
+ StartX=self._back_range[0],
+ EndX=self._back_range[1],
+ Mode='Mean')
number_historgrams = mtd[calib_ws_name].getNumberHistograms()
- ws_mask, num_zero_spectra = FindDetectorsOutsideLimits(InputWorkspace=calib_ws_name, OutputWorkspace='__temp_ws_mask')
+ ws_mask, num_zero_spectra = FindDetectorsOutsideLimits(InputWorkspace=calib_ws_name,
+ OutputWorkspace='__temp_ws_mask')
DeleteWorkspace(ws_mask)
- Integration(InputWorkspace=calib_ws_name, OutputWorkspace=calib_ws_name,
- RangeLower=self._peak_range[0], RangeUpper=self._peak_range[1])
+ Integration(InputWorkspace=calib_ws_name,
+ OutputWorkspace=calib_ws_name,
+ RangeLower=self._peak_range[0],
+ RangeUpper=self._peak_range[1])
- temp_sum = SumSpectra(InputWorkspace=calib_ws_name, OutputWorkspace='__temp_sum')
+ temp_sum = SumSpectra(InputWorkspace=calib_ws_name,
+ OutputWorkspace='__temp_sum')
total = temp_sum.readY(0)[0]
DeleteWorkspace(temp_sum)
if self._intensity_scale is None:
self._intensity_scale = 1 / (total / (number_historgrams - num_zero_spectra))
- Scale(InputWorkspace=calib_ws_name, OutputWorkspace=calib_ws_name,
- Factor=self._intensity_scale, Operation='Multiply')
+ Scale(InputWorkspace=calib_ws_name,
+ OutputWorkspace=calib_ws_name,
+ Factor=self._intensity_scale,
+ Operation='Multiply')
- RenameWorkspace(InputWorkspace=calib_ws_name, OutputWorkspace=self._out_ws)
+ RenameWorkspace(InputWorkspace=calib_ws_name,
+ OutputWorkspace=self._out_ws)
# Remove old workspaces
if len(runs) > 1:
for run in runs:
DeleteWorkspace(Workspace=run)
+ self._add_logs()
self.setProperty('OutputWorkspace', self._out_ws)
- self._post_process()
+
+ if self._plot:
+ from mantidplot import plotBin
+ plotBin(mtd[self._out_ws], 0)
def _setup(self):
@@ -159,22 +186,26 @@ class IndirectCalibration(DataProcessorAlgorithm):
self._plot = self.getProperty('Plot').value
- def _post_process(self):
+ def _add_logs(self):
"""
- Handles adding logs and plotting.
+ Handles adding sample logs.
"""
# Add sample logs to output workspace
+ sample_logs = [
+ ('calib_peak_min', self._peak_range[0]),
+ ('calib_peak_max', self._peak_range[1]),
+ ('calib_back_min', self._back_range[0]),
+ ('calib_back_max', self._back_range[1]),
+ ('calib_run_numbers', ','.join(self._run_numbers))
+ ]
+
if self._intensity_scale is not None:
- AddSampleLog(Workspace=self._out_ws, LogName='Scale Factor', LogType='Number', LogText=str(self._intensity_scale))
- AddSampleLog(Workspace=self._out_ws, LogName='Peak Min', LogType='Number', LogText=str(self._peak_range[0]))
- AddSampleLog(Workspace=self._out_ws, LogName='Peak Max', LogType='Number', LogText=str(self._peak_range[1]))
- AddSampleLog(Workspace=self._out_ws, LogName='Back Min', LogType='Number', LogText=str(self._back_range[0]))
- AddSampleLog(Workspace=self._out_ws, LogName='Back Max', LogType='Number', LogText=str(self._back_range[1]))
+ sample_logs.append(('calib_scale_factor', self._intensity_scale))
- if self._plot:
- from mantidplot import plotBin
- plotBin(mtd[self._out_ws], 0)
+ AddSampleLogMultiple(Workspace=self._out_ws,
+ LogNames=[log[0] for log in sample_logs],
+ LogValues=[log[1] for log in sample_logs])
# Register algorithm with Mantid
diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectResolution.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectResolution.py
index 4e44f558bbffd3a82cbdae85be954ca21d09d833..7da278f60e8da69ef5ddd3b7c8609f5c1a8599cb 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectResolution.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectResolution.py
@@ -19,6 +19,7 @@ class IndirectResolution(DataProcessorAlgorithm):
_plot = None
_save = None
+
def category(self):
return 'Workflow\\Inelastic;PythonAlgorithms;Inelastic'
@@ -61,8 +62,10 @@ class IndirectResolution(DataProcessorAlgorithm):
direction=Direction.Output),
doc='Output resolution workspace.')
+
def PyExec(self):
from IndirectCommon import getWSprefix
+
self._setup()
ISISIndirectEnergyTransfer(Instrument=self._instrument,
@@ -77,13 +80,20 @@ class IndirectResolution(DataProcessorAlgorithm):
icon_ws = mtd['__et_ws_group'].getItem(0).getName()
if self._scale_factor != 1.0:
- Scale(InputWorkspace=icon_ws, OutputWorkspace=icon_ws, Factor=self._scale_factor)
+ Scale(InputWorkspace=icon_ws,
+ OutputWorkspace=icon_ws,
+ Factor=self._scale_factor)
- CalculateFlatBackground(InputWorkspace=icon_ws, OutputWorkspace=self._out_ws,
- StartX=self._background[0], EndX=self._background[1],
- Mode='Mean', OutputMode='Subtract Background')
+ CalculateFlatBackground(InputWorkspace=icon_ws,
+ OutputWorkspace=self._out_ws,
+ StartX=self._background[0],
+ EndX=self._background[1],
+ Mode='Mean',
+ OutputMode='Subtract Background')
- Rebin(InputWorkspace=self._out_ws, OutputWorkspace=self._out_ws, Params=self._rebin_string)
+ Rebin(InputWorkspace=self._out_ws,
+ OutputWorkspace=self._out_ws,
+ Params=self._rebin_string)
self._post_process()
self.setProperty('OutputWorkspace', self._out_ws)
@@ -115,31 +125,27 @@ class IndirectResolution(DataProcessorAlgorithm):
Handles adding logs, saving and plotting.
"""
- use_scale_factor = self._scale_factor == 1.0
- AddSampleLog(Workspace=self._out_ws, LogName='scale',
- LogType='String', LogText=str(use_scale_factor))
- if use_scale_factor:
- AddSampleLog(Workspace=self._out_ws, LogName='scale_factor',
- LogType='Number', LogText=str(self._scale_factor))
+ sample_logs = [
+ ('res_back_start', self._background[0]),
+ ('res_back_end', self._background[1])
+ ]
- AddSampleLog(Workspace=self._out_ws, LogName='back_start',
- LogType='Number', LogText=str(self._background[0]))
- AddSampleLog(Workspace=self._out_ws, LogName='back_end',
- LogType='Number', LogText=str(self._background[1]))
+ if self._scale_factor != 1.0:
+ sample_logs.append(('res_scale_factor', self._scale_factor))
rebin_params = self._rebin_string.split(',')
if len(rebin_params) == 3:
- AddSampleLog(Workspace=self._out_ws, LogName='rebin_low',
- LogType='Number', LogText=rebin_params[0])
- AddSampleLog(Workspace=self._out_ws, LogName='rebin_width',
- LogType='Number', LogText=rebin_params[1])
- AddSampleLog(Workspace=self._out_ws, LogName='rebin_high',
- LogType='Number', LogText=rebin_params[2])
+ sample_logs.append(('rebin_low', rebin_params[0]))
+ sample_logs.append(('rebin_width', rebin_params[1]))
+ sample_logs.append(('rebin_high', rebin_params[2]))
+
+ AddSampleLogMultiple(Workspace=self._out_ws,
+ LogNames=[log[0] for log in sample_logs],
+ LogValues=[log[1] for log in sample_logs])
self.setProperty('OutputWorkspace', self._out_ws)
if self._save:
- logger.information("Resolution file saved to default save directory.")
SaveNexusProcessed(InputWorkspace=self._out_ws, Filename=self._out_ws + '.nxs')
if self._plot:
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ISISCalibration.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ISISCalibration.cpp
index d2535faf70719ea4ee848164266af16363e54fb2..d1ad9e91dd2a6b0b0f09f76ae665f749c4ef269a 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ISISCalibration.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ISISCalibration.cpp
@@ -156,7 +156,8 @@ namespace CustomInterfaces
{
// Get properties
QString firstFile = m_uiForm.leRunNo->getFirstFilename();
- QString filenames = m_uiForm.leRunNo->getFilenames().join(",");
+ QStringList filenameList = m_uiForm.leRunNo->getFilenames();
+ QString filenames = filenameList.join(",");
auto instDetails = getInstrumentDetails();
QString instDetectorRange = instDetails["spectra-min"] + "," + instDetails["spectra-max"];
@@ -168,7 +169,10 @@ namespace CustomInterfaces
QString outputWorkspaceNameStem = firstFileInfo.baseName() + "_" + getInstrumentConfiguration()->getAnalyserName()
+ getInstrumentConfiguration()->getReflectionName();
- QString calibrationWsName = outputWorkspaceNameStem + "_calib";
+ QString calibrationWsName = outputWorkspaceNameStem;
+ if(filenameList.size() > 1)
+ calibrationWsName += "_multi";
+ calibrationWsName += "_calib";
// Configure the calibration algorithm
IAlgorithm_sptr calibrationAlg = AlgorithmManager::Instance().create("IndirectCalibration");
@@ -209,7 +213,10 @@ namespace CustomInterfaces
// Configure the resolution algorithm
if(m_uiForm.ckCreateResolution->isChecked())
{
- QString resolutionWsName = outputWorkspaceNameStem + "_res";
+ QString resolutionWsName = outputWorkspaceNameStem;
+ if(filenameList.size() > 1)
+ resolutionWsName += "_multi";
+ resolutionWsName += "_res";
QString resDetectorRange = QString::number(m_dblManager->value(m_properties["ResSpecMin"])) + ","
+ QString::number(m_dblManager->value(m_properties["ResSpecMax"]));