diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui
index c61bdcaba05061761b57d5a60046ac404a497035..72c9d108c63a1449c6c40a6ed669b444091eae93 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataReduction.ui
@@ -1798,7 +1798,7 @@ Later steps in the process (saving, renaming) will not be done.</string>
</sizepolicy>
</property>
<property name="autoLoad" stdset="0">
- <bool>false</bool>
+ <bool>true</bool>
</property>
<property name="loadLabelText" stdset="0">
<string>Plot Input</string>
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectSqw.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectSqw.h
index ad26ef5efddfb734edbf97b3fbc9df5b91a068c8..e616371e5669d291e430091d36006dc775777dd6 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectSqw.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectSqw.h
@@ -47,8 +47,13 @@ namespace CustomInterfaces
virtual bool validate();
private slots:
- void sOfQwRebinE(bool state);
- void sOfQwPlotInput();
+ void energyRebinToggle(bool state);
+ void plotContour();
+ void sqwAlgDone(bool error);
+
+ private:
+ bool validateQRebin();
+ bool validateEnergyRebin();
};
} // namespace CustomInterfaces
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectSqw.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectSqw.cpp
index c736b1a73397a511ae8fdd36556d9ccde7858c5d..de3a0ecd662c03648ce30b4e45260c9bf46e4b77 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectSqw.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/IndirectSqw.cpp
@@ -4,6 +4,9 @@
#include <QFileInfo>
+using namespace Mantid::API;
+using MantidQt::API::BatchAlgorithmRunner;
+
namespace MantidQt
{
namespace CustomInterfaces
@@ -14,184 +17,254 @@ namespace CustomInterfaces
IndirectSqw::IndirectSqw(Ui::IndirectDataReduction& uiForm, QWidget * parent) :
IndirectDataReductionTab(uiForm, parent)
{
- connect(m_uiForm.sqw_ckRebinE, SIGNAL(toggled(bool)), this, SLOT(sOfQwRebinE(bool)));
- connect(m_uiForm.sqw_dsSampleInput, SIGNAL(loadClicked()), this, SLOT(sOfQwPlotInput()));
-
m_uiForm.sqw_leELow->setValidator(m_valDbl);
m_uiForm.sqw_leEWidth->setValidator(m_valDbl);
m_uiForm.sqw_leEHigh->setValidator(m_valDbl);
m_uiForm.sqw_leQLow->setValidator(m_valDbl);
m_uiForm.sqw_leQWidth->setValidator(m_valDbl);
m_uiForm.sqw_leQHigh->setValidator(m_valDbl);
+
+ connect(m_uiForm.sqw_ckRebinE, SIGNAL(toggled(bool)), this, SLOT(energyRebinToggle(bool)));
+ connect(m_uiForm.sqw_dsSampleInput, SIGNAL(loadClicked()), this, SLOT(plotContour()));
+
+ connect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this, SLOT(sqwAlgDone(bool)));
}
-
+
//----------------------------------------------------------------------------------------------
/** Destructor
*/
IndirectSqw::~IndirectSqw()
{
}
-
+
void IndirectSqw::setup()
{
}
- void IndirectSqw::run()
+ bool IndirectSqw::validate()
{
- QString rebinString = m_uiForm.sqw_leQLow->text() + "," + m_uiForm.sqw_leQWidth->text() +
- "," + m_uiForm.sqw_leQHigh->text();
-
- QString wsname;
- if(m_uiForm.sqw_dsSampleInput->isFileSelectorVisible())
- {
- // Load Nexus file into workspace
- QString filename = m_uiForm.sqw_dsSampleInput->getFullFilePath();
- QFileInfo fi(filename);
- wsname = fi.baseName();
-
- if(!loadFile(filename, wsname))
- {
- emit showMessageBox("Could not load Nexus file");
- }
- }
- else
- {
- // Get the workspace
- wsname = m_uiForm.sqw_dsSampleInput->getCurrentDataName();
- }
-
- QString pyInput = "from mantid.simpleapi import *\n";
+ bool valid = true;
- // Create output name before rebinning
- pyInput += "sqwInput = '" + wsname + "'\n";
- pyInput += "sqwOutput = sqwInput[:-3] + 'sqw'\n";
+ UserInputValidator uiv;
+ uiv.checkDataSelectorIsValid("Sample", m_uiForm.sqw_dsSampleInput);
+ QString error = uiv.generateErrorMessage();
- if ( m_uiForm.sqw_ckRebinE->isChecked() )
+ if(!error.isEmpty())
{
- QString eRebinString = m_uiForm.sqw_leELow->text() + "," + m_uiForm.sqw_leEWidth->text() +
- "," + m_uiForm.sqw_leEHigh->text();
-
- pyInput += "Rebin(InputWorkspace=sqwInput, OutputWorkspace=sqwInput+'_r', Params='" + eRebinString + "')\n"
- "sqwInput += '_r'\n";
+ valid = false;
+ emit showMessageBox(error);
}
- pyInput +=
- "efixed = " + m_uiForm.leEfixed->text() + "\n"
- "rebin = '" + rebinString + "'\n";
+ if(m_uiForm.sqw_ckRebinE->isChecked() && !validateEnergyRebin())
+ valid = false;
- QString rebinType = m_uiForm.sqw_cbRebinType->currentText();
- if(rebinType == "Centre (SofQW)")
- pyInput += "SofQW(InputWorkspace=sqwInput, OutputWorkspace=sqwOutput, QAxisBinning=rebin, EMode='Indirect', EFixed=efixed)\n";
- else if(rebinType == "Parallelepiped (SofQW2)")
- pyInput += "SofQW2(InputWorkspace=sqwInput, OutputWorkspace=sqwOutput, QAxisBinning=rebin, EMode='Indirect', EFixed=efixed)\n";
- else if(rebinType == "Parallelepiped/Fractional Area (SofQW3)")
- pyInput += "SofQW3(InputWorkspace=sqwInput, OutputWorkspace=sqwOutput, QAxisBinning=rebin, EMode='Indirect', EFixed=efixed)\n";
+ if(!validateQRebin())
+ valid = false;
- pyInput += "AddSampleLog(Workspace=sqwOutput, LogName='rebin_type', LogType='String', LogText='"+rebinType+"')\n";
+ return valid;
+ }
- if ( m_uiForm.sqw_ckSave->isChecked() )
- {
- pyInput += "SaveNexus(InputWorkspace=sqwOutput, Filename=sqwOutput+'.nxs')\n";
+ /**
+ * Validates the Q rebinning parameters.
+ *
+ * @returns If the rebinning is valid
+ */
+ bool IndirectSqw::validateQRebin()
+ {
+ bool valid = true;
- if (m_uiForm.sqw_ckVerbose->isChecked())
- {
- pyInput += "logger.notice(\"Resolution file saved to default save directory.\")\n";
- }
+ if ( m_uiForm.sqw_leQLow->text() == "" )
+ {
+ valid = false;
+ m_uiForm.sqw_valQLow->setText("*");
+ }
+ else
+ {
+ m_uiForm.sqw_valQLow->setText(" ");
}
- if ( m_uiForm.sqw_cbPlotType->currentText() == "Contour" )
+ if ( m_uiForm.sqw_leQWidth->text() == "" )
{
- pyInput += "importMatrixWorkspace(sqwOutput).plotGraph2D()\n";
+ valid = false;
+ m_uiForm.sqw_valQWidth->setText("*");
+ }
+ else
+ {
+ m_uiForm.sqw_valQWidth->setText(" ");
}
- else if ( m_uiForm.sqw_cbPlotType->currentText() == "Spectra" )
+ if ( m_uiForm.sqw_leQHigh->text() == "" )
{
- pyInput +=
- "nspec = mtd[sqwOutput].getNumberHistograms()\n"
- "plotSpectrum(sqwOutput, range(0, nspec))\n";
+ valid = false;
+ m_uiForm.sqw_valQHigh->setText("*");
+ }
+ else
+ {
+ m_uiForm.sqw_valQHigh->setText(" ");
}
- QString pyOutput = m_pythonRunner.runPythonCode(pyInput).trimmed();
+ return valid;
}
- bool IndirectSqw::validate()
+ /**
+ * Validates the energy rebinning parameters.
+ *
+ * @returns If the rebinning is valid
+ */
+ bool IndirectSqw::validateEnergyRebin()
{
bool valid = true;
- UserInputValidator uiv;
- uiv.checkDataSelectorIsValid("Sample", m_uiForm.sqw_dsSampleInput);
- QString error = uiv.generateErrorMessage();
-
- if (!error.isEmpty())
+ if ( m_uiForm.sqw_leELow->text() == "" )
{
valid = false;
- emit showMessageBox(error);
+ m_uiForm.sqw_valELow->setText("*");
}
-
- if ( m_uiForm.sqw_ckRebinE->isChecked() )
+ else
{
- if ( m_uiForm.sqw_leELow->text() == "" )
- {
- valid = false;
- m_uiForm.sqw_valELow->setText("*");
- }
- else
- {
- m_uiForm.sqw_valELow->setText(" ");
- }
-
- if ( m_uiForm.sqw_leEWidth->text() == "" )
- {
- valid = false;
- m_uiForm.sqw_valEWidth->setText("*");
- }
- else
- {
- m_uiForm.sqw_valEWidth->setText(" ");
- }
-
- if ( m_uiForm.sqw_leEHigh->text() == "" )
- {
- valid = false;
- m_uiForm.sqw_valEHigh->setText("*");
- }
- else
- {
- m_uiForm.sqw_valEHigh->setText(" ");
- }
+ m_uiForm.sqw_valELow->setText(" ");
}
- if ( m_uiForm.sqw_leQLow->text() == "" )
+ if ( m_uiForm.sqw_leEWidth->text() == "" )
{
valid = false;
- m_uiForm.sqw_valQLow->setText("*");
+ m_uiForm.sqw_valEWidth->setText("*");
}
else
{
- m_uiForm.sqw_valQLow->setText(" ");
+ m_uiForm.sqw_valEWidth->setText(" ");
}
- if ( m_uiForm.sqw_leQWidth->text() == "" )
+ if ( m_uiForm.sqw_leEHigh->text() == "" )
{
valid = false;
- m_uiForm.sqw_valQWidth->setText("*");
+ m_uiForm.sqw_valEHigh->setText("*");
}
else
{
- m_uiForm.sqw_valQWidth->setText(" ");
+ m_uiForm.sqw_valEHigh->setText(" ");
}
- if ( m_uiForm.sqw_leQHigh->text() == "" )
+ return valid;
+ }
+
+ void IndirectSqw::run()
+ {
+ QString sampleWsName = m_uiForm.sqw_dsSampleInput->getCurrentDataName();
+ QString sqwWsName = sampleWsName.left(sampleWsName.length() - 4) + "_sqw";
+ QString eRebinWsName = sampleWsName.left(sampleWsName.length() - 4) + "_r";
+
+ QString rebinString = m_uiForm.sqw_leQLow->text() + "," + m_uiForm.sqw_leQWidth->text() +
+ "," + m_uiForm.sqw_leQHigh->text();
+
+ // Rebin in energy
+ bool rebinInEnergy = m_uiForm.sqw_ckRebinE->isChecked();
+ if(rebinInEnergy)
{
- valid = false;
- m_uiForm.sqw_valQHigh->setText("*");
+ QString eRebinString = m_uiForm.sqw_leELow->text() + "," + m_uiForm.sqw_leEWidth->text() +
+ "," + m_uiForm.sqw_leEHigh->text();
+
+ IAlgorithm_sptr energyRebinAlg = AlgorithmManager::Instance().create("Rebin");
+ energyRebinAlg->initialize();
+
+ energyRebinAlg->setProperty("InputWorkspace", sampleWsName.toStdString());
+ energyRebinAlg->setProperty("OutputWorkspace", eRebinWsName.toStdString());
+ energyRebinAlg->setProperty("Params", eRebinString.toStdString());
+
+ m_batchAlgoRunner->addAlgorithm(energyRebinAlg);
}
+
+ // Get correct S(Q, w) algorithm
+ QString efixed = m_uiForm.leEfixed->text();
+
+ IAlgorithm_sptr sqwAlg;
+ QString rebinType = m_uiForm.sqw_cbRebinType->currentText();
+
+ if(rebinType == "Centre (SofQW)")
+ sqwAlg = AlgorithmManager::Instance().create("SofQW");
+ else if(rebinType == "Parallelepiped (SofQW2)")
+ sqwAlg = AlgorithmManager::Instance().create("SofQW2");
+ else if(rebinType == "Parallelepiped/Fractional Area (SofQW3)")
+ sqwAlg = AlgorithmManager::Instance().create("SofQW3");
+
+ // S(Q, w) algorithm
+ sqwAlg->initialize();
+
+ BatchAlgorithmRunner::AlgorithmRuntimeProps sqwInputProps;
+ if(rebinInEnergy)
+ sqwInputProps["InputWorkspace"] = eRebinWsName.toStdString();
else
+ sqwInputProps["InputWorkspace"] = sampleWsName.toStdString();
+
+ sqwAlg->setProperty("OutputWorkspace", sqwWsName.toStdString());
+ sqwAlg->setProperty("QAxisBinning", rebinString.toStdString());
+ sqwAlg->setProperty("EMode", "Indirect");
+ sqwAlg->setProperty("EFixed", efixed.toStdString());
+
+ m_batchAlgoRunner->addAlgorithm(sqwAlg, sqwInputProps);
+
+ // Add sample log for S(Q, w) algorithm used
+ IAlgorithm_sptr sampleLogAlg = AlgorithmManager::Instance().create("AddSampleLog");
+ sampleLogAlg->initialize();
+
+ sampleLogAlg->setProperty("LogName", "rebin_type");
+ sampleLogAlg->setProperty("LogType", "String");
+ sampleLogAlg->setProperty("LogText", rebinType.toStdString());
+
+ BatchAlgorithmRunner::AlgorithmRuntimeProps inputToAddSampleLogProps;
+ inputToAddSampleLogProps["Workspace"] = sqwWsName.toStdString();
+
+ m_batchAlgoRunner->addAlgorithm(sampleLogAlg, inputToAddSampleLogProps);
+
+ // Save S(Q, w) workspace
+ if(m_uiForm.sqw_ckSave->isChecked())
{
- m_uiForm.sqw_valQHigh->setText(" ");
+ QString saveFilename = sqwWsName + ".nxs";
+
+ IAlgorithm_sptr saveNexusAlg = AlgorithmManager::Instance().create("SaveNexus");
+ saveNexusAlg->initialize();
+
+ saveNexusAlg->setProperty("Filename", saveFilename.toStdString());
+
+ BatchAlgorithmRunner::AlgorithmRuntimeProps inputToSaveNexusProps;
+ inputToSaveNexusProps["InputWorkspace"] = sqwWsName.toStdString();
+
+ m_batchAlgoRunner->addAlgorithm(saveNexusAlg, inputToSaveNexusProps);
}
- return valid;
+ m_batchAlgoRunner->executeBatch();
+ }
+
+ /**
+ * Handles plotting the S(Q, w) workspace when the algorithm chain is finished.
+ *
+ * @param error If the algorithm chain failed
+ */
+ void IndirectSqw::sqwAlgDone(bool error)
+ {
+ if(error)
+ return;
+
+ // Get the workspace name
+ QString sampleWsName = m_uiForm.sqw_dsSampleInput->getCurrentDataName();
+ QString sqwWsName = sampleWsName.left(sampleWsName.length() - 4) + "_sqw";
+
+ QString pyInput = "sqw_ws = '" + sqwWsName + "'\n";
+ QString plotType = m_uiForm.sqw_cbPlotType->currentText();
+
+ if(plotType == "Contour")
+ {
+ pyInput += "plot2D(sqw_ws)\n";
+ }
+
+ else if(plotType == "Spectra")
+ {
+ pyInput +=
+ "n_spec = mtd[sqw_ws].getNumberHistograms()\n"
+ "plotSpectrum(sqw_ws, range(0, n_spec))\n";
+ }
+
+ m_pythonRunner.runPythonCode(pyInput).trimmed();
}
/**
@@ -199,11 +272,14 @@ namespace CustomInterfaces
*
* @param state :: True to enable RiE UI, false to disable
*/
- void IndirectSqw::sOfQwRebinE(bool state)
+ void IndirectSqw::energyRebinToggle(bool state)
{
QString val;
- if ( state ) val = "*";
- else val = " ";
+ if(state)
+ val = "*";
+ else
+ val = " ";
+
m_uiForm.sqw_leELow->setEnabled(state);
m_uiForm.sqw_leEWidth->setEnabled(state);
m_uiForm.sqw_leEHigh->setEnabled(state);
@@ -223,32 +299,26 @@ namespace CustomInterfaces
*
* Creates a colour 2D plot of the data
*/
- void IndirectSqw::sOfQwPlotInput()
+ void IndirectSqw::plotContour()
{
- QString pyInput = "from mantid.simpleapi import *\n"
- "from mantidplot import *\n";
-
- if (m_uiForm.sqw_dsSampleInput->isValid())
+ if(m_uiForm.sqw_dsSampleInput->isValid())
{
- if(m_uiForm.sqw_dsSampleInput->isFileSelectorVisible())
- {
- //Load file into workspacwe
- pyInput += "filename = r'" + m_uiForm.sqw_dsSampleInput->getFullFilePath() + "'\n"
- "(dir, file) = os.path.split(filename)\n"
- "(sqwInput, ext) = os.path.splitext(file)\n"
- "LoadNexus(Filename=filename, OutputWorkspace=sqwInput)\n";
- }
- else
- {
- //Use existing workspace
- pyInput += "sqwInput = '" + m_uiForm.sqw_dsSampleInput->getCurrentDataName() + "'\n";
- }
-
- pyInput += "ConvertSpectrumAxis(InputWorkspace=sqwInput, OutputWorkspace=sqwInput[:-4]+'_rqw', Target='ElasticQ', EMode='Indirect')\n"
- "ws = importMatrixWorkspace(sqwInput[:-4]+'_rqw')\n"
- "ws.plotGraph2D()\n";
-
- QString pyOutput = m_pythonRunner.runPythonCode(pyInput).trimmed();
+ QString sampleWsName = m_uiForm.sqw_dsSampleInput->getCurrentDataName();
+
+ QString convertedWsName = sampleWsName.left(sampleWsName.length() - 4) + "_rqw";
+
+ IAlgorithm_sptr convertSpecAlg = AlgorithmManager::Instance().create("ConvertSpectrumAxis");
+ convertSpecAlg->initialize();
+
+ convertSpecAlg->setProperty("InputWorkspace", sampleWsName.toStdString());
+ convertSpecAlg->setProperty("OutputWorkspace", convertedWsName.toStdString());
+ convertSpecAlg->setProperty("Target", "ElasticQ");
+ convertSpecAlg->setProperty("EMode", "Indirect");
+
+ convertSpecAlg->execute();
+
+ QString pyInput = "plot2D('" + convertedWsName + "')\n";
+ m_pythonRunner.runPythonCode(pyInput).trimmed();
}
else
{