diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/InelasticIndirectReduction.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/InelasticIndirectReduction.py
index a7e1b92e108a3dd10f097632b25a4d60ed365e07..cd63c024c1cd24cdfb8e555de9571ba6fab459eb 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/InelasticIndirectReduction.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/InelasticIndirectReduction.py
@@ -2,21 +2,22 @@ from mantid.kernel import *
from mantid.api import *
from mantid.simpleapi import *
-
class InelasticIndirectReduction(DataProcessorAlgorithm):
def category(self):
- return "Workflow\\Inelastic;PythonAlgorithms;Inelastic"
+ return 'Workflow\\Inelastic;PythonAlgorithms;Inelastic'
+
def summary(self):
- return "Runs a reduction for an inelastic indirect geometry instrument."
+ return 'Runs a reduction for an inelastic indirect geometry instrument.'
+
def PyInit(self):
self.declareProperty(WorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output, optional=PropertyMode.Optional),
doc='Optionally override the name for the output workspace')
- self.declareProperty(name='InputFiles', defaultValue='', validator=StringMandatoryValidator(),
+ self.declareProperty(StringArrayProperty(name='InputFiles'),
doc='Comma separated list of input files')
self.declareProperty(name='SumFiles', defaultValue=False, doc='Toggle input file summing or sequential processing')
@@ -49,93 +50,62 @@ class InelasticIndirectReduction(DataProcessorAlgorithm):
self.declareProperty(name='Plot', defaultValue='none', doc='Type of plot to output after reduction',
validator=StringListValidator(['none', 'spectra', 'contour']))
+
def PyExec(self):
from mantid import config, logger
from IndirectCommon import StartTime, EndTime
import inelastic_indirect_reducer
- StartTime('InelasticIndirectReduction')
-
- ## Get parameter values
- out_ws = self.getPropertyValue('OutputWorkspace')
- data_files = self.getPropertyValue('InputFiles').split(',')
-
- instrument = self.getPropertyValue('Instrument')
- analyser = self.getPropertyValue('Analyser')
- reflection = self.getPropertyValue('Reflection')
-
- param_file = config['instrumentDefinition.directory'] + instrument + '_' + analyser + '_' + reflection + '_Parameters.xml'
-
- detector_range = self.getProperty('DetectorRange').value
- background_range = self.getProperty('BackgroundRange').value
-
- calib_ws = self.getProperty('CalibrationWorkspace')
- calib_ws_name = self.getPropertyValue('CalibrationWorkspace')
-
- detailed_balance = self.getProperty('DetailedBalance').value
+ self._setup()
- rebin_string = self.getPropertyValue('RebinString')
-
- scale_factor = self.getProperty('ScaleFactor').value
-
- map_file = self.getPropertyValue('MappingFile')
-
- save_format_string = self.getPropertyValue('SaveFormats')
- save_formats = save_format_string.split(',')
-
- # Validate save format string
- valid_formats = ['nxs', 'spe', 'nxspe', 'ascii', 'aclimax', 'davegrp']
- if len(save_format_string) > 0:
- for save_format in save_formats:
- if save_format not in valid_formats:
- raise ValueError('Save format "' + save_format + '" is not valid.\nValid formats: ' + str(valid_formats))
+ StartTime('InelasticIndirectReduction')
# Setup reducer
reducer = inelastic_indirect_reducer.IndirectReducer()
reducer.set_rename(True)
- reducer.set_instrument_name(instrument)
- reducer.set_parameter_file(param_file)
+ reducer.set_instrument_name(self._instrument)
+ reducer.set_parameter_file(self._param_file)
- for data_file in data_files:
+ for data_file in self._data_files:
reducer.append_data_file(data_file)
- reducer.set_sum_files(self.getProperty('SumFiles').value)
+ reducer.set_sum_files(self._sum_files)
- reducer.set_detector_range(int(detector_range[0]) - 1, int(detector_range[1]) - 1)
+ reducer.set_detector_range(int(self._detector_range[0]) - 1, int(self._detector_range[1]) - 1)
- use_calib_ws = calib_ws.value is not None
- if use_calib_ws:
+ self._use_calib_ws = self._calib_ws.value is not None
+ if self._use_calib_ws:
logger.debug('Using calibration workspace')
- reducer.set_calibration_workspace(calib_ws.valueAsStr)
+ reducer.set_calibration_workspace(self._calib_ws.valueAsStr)
- if len(background_range) == 2:
- logger.debug('Using background range: ' + str(background_range))
- reducer.set_background(float(background_range[0]), float(background_range[1]))
+ if len(self._background_range) == 2:
+ logger.debug('Using background range: ' + str(self._background_range))
+ reducer.set_background(float(self._background_range[0]), float(self._background_range[1]))
# TODO: There should be a better way to do this
- use_detailed_balance = detailed_balance != -1.0
- if use_detailed_balance:
- logger.debug('Using detailed balance: ' + str(detailed_balance))
- reducer.set_detailed_balance(detailed_balance)
+ self._use_detailed_balance = self._detailed_balance != -1.0
+ if self._use_detailed_balance:
+ logger.debug('Using detailed balance: ' + str(self._detailed_balance))
+ reducer.set_detailed_balance(self._detailed_balance)
- if rebin_string != "":
- logger.debug('Using rebin string: ' + rebin_string)
- reducer.set_rebin_string(rebin_string)
+ if self._rebin_string != '':
+ logger.debug('Using rebin string: ' + self._rebin_string)
+ reducer.set_rebin_string(self._rebin_string)
- use_scale_factor = scale_factor != 1.0
- if use_scale_factor:
- logger.debug('Using scale factor: ' + str(scale_factor))
- reducer.set_scale_factor(scale_factor)
+ self._use_scale_factor = self._scale_factor != 1.0
+ if self._use_scale_factor:
+ logger.debug('Using scale factor: ' + str(self._scale_factor))
+ reducer.set_scale_factor(self._scale_factor)
- if map_file != '':
- logger.debug('Using mapping file: ' + str(map_file))
- reducer.set_grouping_policy(map_file)
+ if self._map_file != '':
+ logger.debug('Using mapping file: ' + str(self._map_file))
+ reducer.set_grouping_policy(self._map_file)
reducer.set_fold_multiple_frames(self.getProperty('Fold').value)
reducer.set_save_to_cm_1(self.getProperty('SaveCM1').value)
- reducer.set_save_formats(save_formats)
+ reducer.set_save_formats(self._save_formats)
# Do reduction and get result workspaces
reducer.reduce()
@@ -147,47 +117,102 @@ class InelasticIndirectReduction(DataProcessorAlgorithm):
# Add sample logs to output workspace(s)
for workspace in ws_list:
- AddSampleLog(Workspace=workspace, LogName='use_calib_wokspace', LogType='String', LogText=str(use_calib_ws))
- if use_calib_ws:
- AddSampleLog(Workspace=workspace, LogName='calib_workspace_name', LogType='String', LogText=str(calib_ws_name))
-
- AddSampleLog(Workspace=workspace, LogName='use_detailed_balance', LogType='String', LogText=str(use_detailed_balance))
- if use_detailed_balance:
- AddSampleLog(Workspace=workspace, LogName='detailed_balance', LogType='Number', LogText=str(detailed_balance))
-
- AddSampleLog(Workspace=workspace, LogName='use_scale_factor', LogType='String', LogText=str(use_scale_factor))
- if use_scale_factor:
- AddSampleLog(Workspace=workspace, LogName='scale_factor', LogType='Number', LogText=str(scale_factor))
+ self._add_ws_logs(workspace)
# Rename output workspace
- # Only renames first workspace, but used in this way the reucer should only output one
+ # Only renames first workspace, but used in this way the reducer should only output one
use_provided_out_ws = self.getPropertyValue('OutputWorkspace') != ''
if use_provided_out_ws:
- logger.information('Renaming output workspace ' + str(ws_list[0]) + ' to ' + str(out_ws))
- RenameWorkspace(InputWorkspace=ws_list[0], OutputWorkspace=out_ws)
+ logger.information('Renaming output workspace ' + str(ws_list[0]) + ' to ' + str(self._out_ws))
+ RenameWorkspace(InputWorkspace=ws_list[0], OutputWorkspace=self._out_ws)
else:
- out_ws = ws_list[0]
+ self._out_ws = ws_list[0]
- self.setProperty('OutputWorkspace', out_ws)
+ self.setProperty('OutputWorkspace', self._out_ws)
# Do plotting
plot_type = self.getPropertyValue('Plot')
if plot_type != 'none':
- if plot_type == 'spectra':
- from mantidplot import plotSpectrum
- num_spectra = mtd[out_ws].getNumberHistograms()
- try:
- plotSpectrum(out_ws, range(0, num_spectra))
- except RuntimeError:
- logger.notice('Spectrum plotting canceled by user')
-
- if plot_type == 'contour':
- from mantidplot import importMatrixWorkspace
- plot_workspace = importMatrixWorkspace(out_ws)
- plot_workspace.plotGraph2D()
+ self._plot()
EndTime('InelasticIndirectReduction')
+
+ def _setup(self):
+ """
+ Gets and validates algorithm properties.
+ """
+
+ # Get parameter values
+ self._out_ws = self.getPropertyValue('OutputWorkspace')
+ self._data_files = self.getProperty('InputFiles').value
+
+ self._instrument = self.getPropertyValue('Instrument')
+ self._analyser = self.getPropertyValue('Analyser')
+ self._reflection = self.getPropertyValue('Reflection')
+
+ self._param_file = config['instrumentDefinition.directory'] + self._instrument + '_' + self._analyser + '_' + self._reflection + '_Parameters.xml'
+
+ self._detector_range = self.getProperty('DetectorRange').value
+ self._background_range = self.getProperty('BackgroundRange').value
+
+ self._calib_ws = self.getProperty('CalibrationWorkspace')
+ self._calib_ws_name = self.getPropertyValue('CalibrationWorkspace')
+
+ self._detailed_balance = self.getProperty('DetailedBalance').value
+ self._rebin_string = self.getPropertyValue('RebinString')
+ self._scale_factor = self.getProperty('ScaleFactor').value
+ self._sum_files = self.getProperty('SumFiles').value
+
+ # TODO: Replace with Grouping WS
+ self._map_file = self.getPropertyValue('MappingFile')
+
+ self._save_formats = self.getProperty('SaveFormats').value
+
+ # Validate save format string
+ valid_formats = ['nxs', 'spe', 'nxspe', 'ascii', 'aclimax', 'davegrp']
+ for save_format in self._save_formats:
+ if save_format not in valid_formats:
+ raise ValueError('Save format "' + save_format + '" is not valid.\nValid formats: ' + str(valid_formats))
+
+
+ def _add_ws_logs(self, workspace_name):
+ """
+ Adds sample logs to a given output workspace.
+ """
+
+ AddSampleLog(Workspace=workspace_name, LogName='use_calib_wokspace', LogType='String', LogText=str(self._use_calib_ws))
+ if self._use_calib_ws:
+ AddSampleLog(Workspace=workspace_name, LogName='calib_workspace_name', LogType='String', LogText=str(self._calib_ws_name))
+
+ AddSampleLog(Workspace=workspace_name, LogName='use_detailed_balance', LogType='String', LogText=str(self._use_detailed_balance))
+ if self._use_detailed_balance:
+ AddSampleLog(Workspace=workspace_name, LogName='detailed_balance', LogType='Number', LogText=str(self._detailed_balance))
+
+ AddSampleLog(Workspace=workspace_name, LogName='use_scale_factor', LogType='String', LogText=str(self._use_scale_factor))
+ if self._use_scale_factor:
+ AddSampleLog(Workspace=workspace_name, LogName='scale_factor', LogType='Number', LogText=str(self._scale_factor))
+
+
+ def _plot(self):
+ """
+ Plots results.
+ """
+
+ if self._plot_type == 'spectra':
+ from mantidplot import plotSpectrum
+ num_spectra = mtd[self._out_ws].getNumberHistograms()
+ try:
+ plotSpectrum(self._out_ws, range(0, num_spectra))
+ except RuntimeError:
+ logger.notice('Spectrum plotting canceled by user')
+
+ if self._plot_type == 'contour':
+ from mantidplot import importMatrixWorkspace
+ plot_workspace = importMatrixWorkspace(self._out_ws)
+ plot_workspace.plotGraph2D()
+
+
# Register algorithm with Mantid
AlgorithmFactory.subscribe(InelasticIndirectReduction)
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui
index cceee13ae1bcb8bb9eb50c2b0befbec2eb733e7e..ba8c2c3442298fe133e9ad0c148dd343ea3667ce 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui
@@ -994,6 +994,13 @@ p, li { white-space: pre-wrap; }
</property>
</widget>
</item>
+ <item>
+ <widget class="QCheckBox" name="save_ckDaveGrp">
+ <property name="text">
+ <string>DaveGrp</string>
+ </property>
+ </widget>
+ </item>
<item>
<spacer name="horizontalSpacer_15">
<property name="orientation">
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectConvertToEnergy.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectConvertToEnergy.cpp
index ccaea9fbcb9f5a0d07f64ae3ea9484e6fb986e6a..e3357d9aa32606005146860083591727cabdb516 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectConvertToEnergy.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectConvertToEnergy.cpp
@@ -677,6 +677,8 @@ namespace CustomInterfaces
fileFormats.push_back("ascii");
if ( m_uiForm.save_ckAclimax->isChecked() )
fileFormats.push_back("aclimax");
+ if ( m_uiForm.save_ckDaveGrp->isChecked() )
+ fileFormats.push_back("davegrp");
return fileFormats;
}