refs #4328 #3641. First version working end to end.

 Overall algorithm dialog. Can convert workspaces and save them to disk. Merging next.

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/CreateMDWorkspace.h

@@ -47,7 +47,7 @@ namespace MantidQt
 
       void addWorkspaceClicked();
 
-      void addRawFileClicked();
+      void addNexusFileClicked();
 
       void addEventNexusFileClicked();
 

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/CreateMDWorkspace.ui

@@ -66,9 +66,9 @@
           </spacer>
          </item>
          <item>
-          <widget class="QPushButton" name="btn_add_raw_file">
+          <widget class="QPushButton" name="btn_add_nexus_file">
            <property name="text">
-            <string>Add Raw File</string>
+            <string>Add Nexus</string>
            </property>
           </widget>
          </item>

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/CreateMDWorkspaceAlgDialog.h

@@ -19,14 +19,19 @@ class CreateMDWorkspaceAlgDialog : public QDialog
   QString getOtherDimensions() const;
   QString getMaxExtents() const;
   QString getMinExtents() const;
+  QString getLocation() const;
   bool getPreprocessedEvents() const;
 
+private slots:
 
+    void outputLocationClicked();
 
 private:
 
   Ui::CreateMDWorkspaceAlgDialog m_uiForm;
 
+  QString m_location;
+
 };
 
 

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/CreateMDWorkspaceAlgDialog.ui

@@ -7,7 +7,7 @@
     <x>0</x>
     <y>0</y>
     <width>456</width>
-    <height>205</height>
+    <height>216</height>
    </rect>
   </property>
   <property name="windowTitle">
@@ -17,7 +17,7 @@
    <property name="fieldGrowthPolicy">
     <enum>QFormLayout::AllNonFixedFieldsGrow</enum>
    </property>
-   <item row="1" column="0">
+   <item row="2" column="0">
     <widget class="QLabel" name="label">
      <property name="toolTip">
       <string>You can to transfer source workspace dimensions into target worskpace directly (NoQ) or transform into mod(Q) (1 dimension) or QxQyQz (3 dimensions) in Q space</string>
@@ -27,10 +27,10 @@
      </property>
     </widget>
    </item>
-   <item row="1" column="1">
+   <item row="2" column="1">
     <widget class="QComboBox" name="combo_q_dimensions"/>
    </item>
-   <item row="2" column="0">
+   <item row="3" column="0">
     <widget class="QLabel" name="label_2">
      <property name="toolTip">
       <string>You can analyze neutron energy transfer in direct, indirect or elastic mode. The analysis mode has to correspond to experimenal set up.</string>
@@ -40,10 +40,10 @@
      </property>
     </widget>
    </item>
-   <item row="2" column="1">
+   <item row="3" column="1">
     <widget class="QComboBox" name="combo_analysis_mode"/>
    </item>
-   <item row="3" column="0">
+   <item row="4" column="0">
     <widget class="QLabel" name="label_5">
      <property name="toolTip">
       <string>List(comma separated) of additional to Q (orthogonal) dimensions in the target workspace.</string>
@@ -53,10 +53,10 @@
      </property>
     </widget>
    </item>
-   <item row="3" column="1">
+   <item row="4" column="1">
     <widget class="QLineEdit" name="txt_other_dimensions"/>
    </item>
-   <item row="4" column="1">
+   <item row="5" column="1">
     <widget class="QCheckBox" name="ck_use_preprocessed_detectors">
      <property name="text">
       <string>Use Pre-processed detectors</string>
@@ -66,7 +66,7 @@
      </property>
     </widget>
    </item>
-   <item row="5" column="0">
+   <item row="6" column="0">
     <widget class="QLabel" name="label_3">
      <property name="toolTip">
       <string>An array of size: 
@@ -96,7 +96,7 @@
      </property>
     </widget>
    </item>
-   <item row="5" column="1">
+   <item row="6" column="1">
     <widget class="QLineEdit" name="txt_min_values">
      <property name="toolTip">
       <string>An array of the same size and the same units as MinValues array
@@ -105,17 +105,17 @@
      </property>
     </widget>
    </item>
-   <item row="6" column="0">
+   <item row="7" column="0">
     <widget class="QLabel" name="label_4">
      <property name="text">
       <string>Max Values</string>
      </property>
     </widget>
    </item>
-   <item row="6" column="1">
+   <item row="7" column="1">
     <widget class="QLineEdit" name="txt_max_values"/>
    </item>
-   <item row="7" column="1">
+   <item row="8" column="1">
     <widget class="QDialogButtonBox" name="buttonBox">
      <property name="orientation">
       <enum>Qt::Horizontal</enum>
@@ -132,6 +132,19 @@
      </property>
     </widget>
    </item>
+   <item row="1" column="1">
+    <widget class="QPushButton" name="btn_output_location">
+     <property name="font">
+      <font>
+       <weight>75</weight>
+       <bold>true</bold>
+      </font>
+     </property>
+     <property name="text">
+      <string>Set Output Location</string>
+     </property>
+    </widget>
+   </item>
   </layout>
  </widget>
  <resources/>

Code/Mantid/MantidQt/CustomInterfaces/src/CreateMDWorkspace.cpp

@@ -97,7 +97,7 @@ void CreateMDWorkspace::initLayout()
   m_uiForm.setupUi(this);
   connect(m_uiForm.btn_create, SIGNAL(clicked()), this, SLOT(createMDWorkspaceClicked()));
   connect(m_uiForm.btn_add_workspace, SIGNAL(clicked()), this, SLOT(addWorkspaceClicked()));
-  connect(m_uiForm.btn_add_raw_file, SIGNAL(clicked()), this, SLOT(addRawFileClicked()));
+  connect(m_uiForm.btn_add_nexus_file, SIGNAL(clicked()), this, SLOT(addNexusFileClicked()));
   connect(m_uiForm.btn_add_event_nexus_file, SIGNAL(clicked()), this, SLOT(addEventNexusFileClicked()));
   connect(m_uiForm.btn_remove_workspace, SIGNAL(clicked()), this, SLOT(removeSelectedClicked()));
   connect(m_uiForm.btn_set_ub_matrix, SIGNAL(clicked()), this, SLOT(setUBMatrixClicked()));
@@ -282,13 +282,13 @@ void CreateMDWorkspace::addUniqueMemento(WorkspaceMemento_sptr candidate)
 }
 
 /*
-Add a raw file from the ADS
+Add a nexus file from the ADS
 */
-void CreateMDWorkspace::addRawFileClicked()
+void CreateMDWorkspace::addNexusFileClicked()
 {
   QString fileName = QFileDialog::getOpenFileName(this, tr("Open File"),
     "/home",
-    tr("Raw Files (*.raw)"));
+    tr("Raw Files (*.nxs)"));
 
   std::string name = fileName.toStdString();
   if(!name.empty())
@@ -415,14 +415,12 @@ int CreateMDWorkspace::runConfirmation(const std::string& message)
 
 void CreateMDWorkspace::createMDWorkspaceClicked()
 {
-  //Launch dialog
-
-  //1) Run a top-level dialog similar to ConvertToMDEvents. Extract all required arguments.
   CreateMDWorkspaceAlgDialog algDlg;
   algDlg.setModal(true);
   int result = algDlg.exec();
   if(result != QDialog::Accepted)
   {
+    runConfirmation("Aborted by user.");
     return;
   }
 
@@ -432,6 +430,12 @@ void CreateMDWorkspace::createMDWorkspaceClicked()
   QString analysisMode = algDlg.getAnalysisMode();
   QString otherDimensions = algDlg.getOtherDimensions();
   bool preProcessedEvents = algDlg.getPreprocessedEvents();
+  QString location = algDlg.getLocation();
+  if(location.isEmpty())
+  {
+    runConfirmation("Output location is mandatory. Please start again and enter one.");
+    return;
+  }
 
   //2) Run ConvertToMDEvents on each workspace.
   for(WorkspaceMementoCollection::size_type i = 0; i < m_data.size(); i++)
@@ -440,12 +444,20 @@ void CreateMDWorkspace::createMDWorkspaceClicked()
     Workspace_sptr ws = currentMemento->applyActions();
 
     //
-    //QString command = ""
-    //  "";
+    QString command = "try:\n"
+      "    ConvertToMDEvents(InputWorkspace='%1',OutputWorkspace='%1_md',OtherDimensions='%2',dEAnalysisMode='%3',QDimensions='%4',MinValues='%5',MaxValues='%6')\n"
+      "    SaveMD(InputWorkspace='%1_md', Filename='%7/%1_md.nxs',MakeFileBacked='1')\n"
+      "    mtd.deleteWorkspace('%1_md')\n"
+      "except:\n"
+      "    print 'FAIL'";
 
-    //ConvertToMDEvents
-    //SaveMD
-
+    command = command.arg(QString(currentMemento->getId().c_str()), otherDimensions, analysisMode, qDimension, minExtents, maxExtents, location);
+    QString pyOutput = runPythonCode(command).trimmed();
+    if(pyOutput == "FAIL")
+    {
+      runConfirmation("Aborted during conversion. See log messages.");
+      return; //Abort.
+    }
 
     currentMemento->cleanUp();
   }

Code/Mantid/MantidQt/CustomInterfaces/src/CreateMDWorkspaceAlgDialog.cpp

@@ -2,21 +2,23 @@
 #include <QComboBox>
 #include <QLineEdit>
 #include <QCheckBox>
+#include <QFileDialog>
 
 CreateMDWorkspaceAlgDialog::CreateMDWorkspaceAlgDialog()
 {
   m_uiForm.setupUi(this);
 
+  connect(m_uiForm.btn_output_location, SIGNAL(clicked()), this, SLOT(outputLocationClicked()));
   connect(m_uiForm.buttonBox, SIGNAL(accepted()), this, SLOT(accept()));
   connect(m_uiForm.buttonBox, SIGNAL(rejected()), this, SLOT(reject()));
 
   m_uiForm.combo_q_dimensions->addItem("|Q|");
   m_uiForm.combo_q_dimensions->addItem("QxQyQz");
 
   m_uiForm.combo_analysis_mode->addItem("Direct");
+  m_uiForm.combo_analysis_mode->addItem("Elastic");
   m_uiForm.combo_analysis_mode->addItem("Indirect");
-  m_uiForm.combo_analysis_mode->addItem("InElastic");
-
+
   this->setWindowTitle("Set MDWorkspace Creation Parameters");
 }
 
@@ -50,6 +52,16 @@ bool CreateMDWorkspaceAlgDialog::getPreprocessedEvents() const
   return m_uiForm.ck_use_preprocessed_detectors->isChecked();
 }
 
+QString CreateMDWorkspaceAlgDialog::getLocation() const
+{
+  return m_location;
+}
+
 CreateMDWorkspaceAlgDialog::~CreateMDWorkspaceAlgDialog()
 {
 }
+
+void CreateMDWorkspaceAlgDialog::outputLocationClicked()
+{
+  this->m_location = QFileDialog::getExistingDirectory(this, tr("Open Directory"), "/home");
+}

Code/Mantid/MantidQt/CustomInterfaces/src/RawFileMemento.cpp

@@ -19,17 +19,17 @@ namespace MantidQt
       */
       RawFileMemento::RawFileMemento(std::string fileName) : m_fileName(fileName)
       {
-        boost::regex pattern("(RAW)$", boost::regex_constants::icase); 
+        boost::regex pattern("(NXS)$", boost::regex_constants::icase); 
 
         if(!boost::regex_search(fileName, pattern))
         {
-          std::string msg = "RawFileMemento:: Unknown File extension on: " + fileName;
+          std::string msg = "NexusFileMemento:: Unknown File extension on: " + fileName;
           throw std::invalid_argument(msg);
         }
 
         if(!checkStillThere())
         {
-          throw std::runtime_error("RawFileMemento:: File doesn't exist");
+          throw std::runtime_error("NexusFileMemento:: File doesn't exist");
         }
 
         std::vector<std::string> strs;
@@ -86,7 +86,7 @@ namespace MantidQt
       {
         checkStillThere();
 
-        IAlgorithm_sptr alg = Mantid::API::AlgorithmManager::Instance().create("LoadRaw");
+        IAlgorithm_sptr alg = Mantid::API::AlgorithmManager::Instance().create("LoadNexus");
         alg->initialize();
         alg->setRethrows(true);
         alg->setProperty("Filename", m_fileName);

Code/Mantid/MantidQt/CustomInterfaces/test/RawFileMementoTest.h

@@ -18,14 +18,14 @@ class RawFileMementoTest : public CxxTest::TestSuite
 
   static std::string getSuitableFileNamePath()
   {
-    return Mantid::API::FileFinder::Instance().getFullPath("LOQ48127.raw");
+    return Mantid::API::FileFinder::Instance().getFullPath("LOQ49886.nxs");
   }
 
 public:
 
   void testConstructorThrowsWithWrongExtension()
   {
-    std::string badFile = "MAR11001.rrr"; //Fictional extension
+    std::string badFile = "LOQ49886.nxss"; //Fictional extension
     TSM_ASSERT_THROWS("Unknown extension, should throw.", new RawFileMemento(badFile), std::invalid_argument);
   }
 
@@ -37,7 +37,7 @@ class RawFileMementoTest : public CxxTest::TestSuite
 
   void testConstructThrowsWhenFileDoesntExist()
   {
-    TSM_ASSERT_THROWS("Unknown file, should throw.", new RawFileMemento("MadeUp.raw"), std::runtime_error);
+    TSM_ASSERT_THROWS("Unknown file, should throw.", new RawFileMemento("MadeUp.nxs"), std::runtime_error);
   }
 
   void testFetchItSucceedsWhenFileExists()