misc code improvements and better dev documentation, re #12610

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionPresenter.h

@@ -72,9 +72,11 @@ class DLLExport EnggDiffractionPresenter : public IEnggDiffractionPresenter {
   void parseCalibrateFilename(const std::string &path, std::string &instName,
                               std::string &vanNo, std::string &ceriaNo);
 
-  void loadVanadiumWorkspaces(const std::string &vanNo, const std::string &dir,
-                              Mantid::API::MatrixWorkspace_sptr &vanIntegWS,
-                              Mantid::API::MatrixWorkspace_sptr &vanCurvesWS);
+  void
+  loadVanadiumPrecalcWorkspaces(const std::string &vanNo,
+                                const std::string &dir,
+                                Mantid::API::MatrixWorkspace_sptr &vanIntegWS,
+                                Mantid::API::MatrixWorkspace_sptr &vanCurvesWS);
 
   void calcVanadiumWorkspaces(const std::string &vanNo,
                               Mantid::API::MatrixWorkspace_sptr &vanIntegWS,

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionQtTabCalib.ui

@@ -135,7 +135,7 @@
        </widget>
       </item>
       <item row="2" column="1" colspan="4">
-       <widget class="QLineEdit" name="lineEdit_current_calib_path">
+       <widget class="QLineEdit" name="lineEdit_current_calib_filename">
         <property name="readOnly">
          <bool>true</bool>
         </property>

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionViewQtGUI.h

@@ -69,7 +69,9 @@ class MANTIDQT_CUSTOMINTERFACES_DLL EnggDiffractionViewQtGUI
 
   std::string askNewCalibrationFilename(const std::string &suggestedFname);
 
- std::vector<std::string> logMsgs() const { return m_logMsgs; }
+  std::string askExistingCalibFilename();
+
+  std::vector<std::string> logMsgs() const { return m_logMsgs; }
 
   std::string getRBNumber() const;
 
@@ -81,12 +83,17 @@ class MANTIDQT_CUSTOMINTERFACES_DLL EnggDiffractionViewQtGUI
 
   std::string currentCeriaNo() const;
 
+  std::string currentCalibFile() const;
+
   std::string newVanadiumNo() const;
 
   std::string newCeriaNo() const;
 
   std::string outCalibFilename() const { return m_outCalibFilename; }
 
+  void newCalibLoaded(const std::string &vanadiumNo, const std::string &ceriaNo,
+                      const std::string &fname);
+
 private slots:
   /// for buttons, do calibrate and similar
   void loadCalibrationClicked();
@@ -136,18 +143,24 @@ private slots:
   Ui::EnggDiffractionQtTabCalib m_uiTabCalib;
   Ui::EnggDiffractionQtTabSettings m_uiTabSettings;
 
-  // instrument selected (ENGIN-X, etc.)
+  /// instrument selected (ENGIN-X, etc.)
   std::string m_currentInst;
-  // current calibration produced in the 'Calibration' tab
+  /// current calibration produced in the 'Calibration' tab
   std::string m_currentCalibFilename;
-  // calibration settings - from/to the 'settings' tab
+  /// calibration settings - from/to the 'settings' tab
   EnggDiffCalibSettings m_calibSettings;
   std::string m_outCalibFilename;
 
   /// for the 'Rebin' parameter of some Engg* algorithms
-  static const double s_defaultRebinWidth;
+  static const double g_defaultRebinWidth;
+
+  /// supported file extensions string for IPARM files (for the open
+  /// file dialogs)
+  static const std::string g_iparmExtStr;
+  /// supported file extensions string for the pixel (full) claibration
+  static const std::string g_pixelCalibExt;
 
-  // presenter as in the model-view-presenter
+  /// presenter as in the model-view-presenter
   boost::scoped_ptr<IEnggDiffractionPresenter> m_presenter;
 };
 

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/IEnggDiffractionView.h

@@ -42,6 +42,8 @@ class IEnggDiffractionView {
   IEnggDiffractionView(){};
   virtual ~IEnggDiffractionView(){};
 
+  /// @name Direct (and usually modal) user interaction
+  //@{
   /**
    * Display a warning to the user (for example as a pop-up window).
    *
@@ -75,6 +77,14 @@ class IEnggDiffractionView {
   virtual std::string
   askNewCalibrationFilename(const std::string &suggestedFname) = 0;
 
+  /**
+   * Gets an (existing file) filename from the user, to load a calibration.
+   *
+   * @return filename given by the user (empty if cancelled / not interested)
+   */
+  virtual std::string askExistingCalibFilename() = 0;
+  //@}
+
   /**
    * Gives one or more messages that this View wants to send to the
    * logging system.
@@ -117,6 +127,14 @@ class IEnggDiffractionView {
    */
   virtual std::string currentCeriaNo() const = 0;
 
+  /**
+   * The filename of the current calibration (corresponding to the
+   * current Vanadium, Ceria)
+   *
+   * @return filename (normally full path)
+   */
+  virtual std::string currentCalibFile() const = 0;
+
   /**
    * The Vanadium run number to use for a new calibration
    *
@@ -138,6 +156,18 @@ class IEnggDiffractionView {
    */
   virtual std::string outCalibFilename() const = 0;
 
+  /**
+   * A new calibration is calculated or loaded => update display and
+   * widgets. This becomes the new 'current' calibration.
+   *
+   * @param vanadiumNo new Vanadium run number
+   * @param ceraNo new Ceria run number
+   * @param fname new calibration file name
+   */
+  virtual void newCalibLoaded(const std::string &vanadiumNo,
+                              const std::string &ceriaNo,
+                              const std::string &fname) = 0;
+
   /**
    * Save settings (normally when closing the interface). This
    * concerns only GUI settings, such as window max/min status and

Code/Mantid/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionPresenter.cpp

@@ -79,6 +79,13 @@ void EnggDiffractionPresenter::processStart() {
 
 void EnggDiffractionPresenter::processLoadExistingCalib() {
   EnggDiffCalibSettings cs = m_view->currentCalibSettings();
+
+  std::string fname = m_view->askExistingCalibFilename();
+
+  std::string instName, vanNo, ceriaNo;
+  parseCalibrateFilename(fname, instName, vanNo, ceriaNo);
+
+  m_view->newCalibLoaded(vanNo, ceriaNo, fname);
 }
 
 void EnggDiffractionPresenter::processCalcCalib() {
@@ -102,7 +109,14 @@ void EnggDiffractionPresenter::processCalcCalib() {
   std::string sugg = buildCalibrateSuggestedFilename(vanNo, ceriaNo);
 
   std::string outFilename = m_view->askNewCalibrationFilename(sugg);
-  doCalib(cs, vanNo, ceriaNo, outFilename);
+  try {
+    doCalib(cs, vanNo, ceriaNo, outFilename);
+    m_view->newCalibLoaded(vanNo, ceriaNo, outFilename);
+  } catch (std::runtime_error &re) {
+    g_log.error()
+        << "The calibration calculations failed. See log messages for details. "
+        << std::endl;
+  }
 }
 
 void EnggDiffractionPresenter::processLogMsg() {
@@ -123,11 +137,19 @@ void EnggDiffractionPresenter::processShutDown() {
   cleanup();
 }
 
+/**
+ * Calculate a calibration, responding the the "new calibration"
+ * action/button.
+ *
+ * @param cs user settings
+ * @param vanNo Vanadium run number
+ * @param ceriaNo Ceria run number
+ * @param outFilename output filename chosen by the user
+ */
 void EnggDiffractionPresenter::doCalib(const EnggDiffCalibSettings &cs,
                                        const std::string &vanNo,
                                        const std::string &ceriaNo,
                                        const std::string &outFilename) {
-
   MatrixWorkspace_sptr vanIntegWS;
   MatrixWorkspace_sptr vanCurvesWS;
   MatrixWorkspace_sptr ceriaWS;
@@ -142,17 +164,19 @@ void EnggDiffractionPresenter::doCalib(const EnggDiffCalibSettings &cs,
   tzero.reserve(numBanks);
   for (size_t i = 0; i < difc.size(); i++) {
     auto alg = Algorithm::fromString("EnggCalibrate");
-    alg->initialize();
-    alg->setProperty("InputWorkspace", ceriaWS);
-
     try {
+      alg->initialize();
+      alg->setProperty("InputWorkspace", ceriaWS);
       alg->execute();
     } catch (std::runtime_error &re) {
       m_view->userError("Error in calibration",
                         "Could not run EnggCalibrate succesfully for bank " +
                             boost::lexical_cast<std::string>(i) +
                             ". Error description: " + re.what() +
                             " Please check also the log messages for details.");
+      g_log.information() << "Could not write calibration file because of the "
+                             "errors (see log). " << std::endl;
+      throw re;
     }
     difc[i] = alg->getProperty("Difc");
     tzero[i] = alg->getProperty("Zero");
@@ -262,6 +286,8 @@ std::string EnggDiffractionPresenter::buildCalibrateSuggestedFilename(
 }
 
 /**
+ * Load precalculated results from Vanadium corrections previously
+ * calculated.
  *
  * @param dir directory where the vanadium run should be looked for
  * (normally the input calibration directory chosen in the settings of
@@ -274,7 +300,7 @@ std::string EnggDiffractionPresenter::buildCalibrateSuggestedFilename(
  * @param vanCurvesWS output (matrix) workspace loaded from the
  * precalculated Vanadium correction file, with the per-bank curves
  */
-void EnggDiffractionPresenter::loadVanadiumWorkspaces(
+void EnggDiffractionPresenter::loadVanadiumPrecalcWorkspaces(
     const std::string &vanNo, const std::string &dir,
     MatrixWorkspace_sptr &vanIntegWS, MatrixWorkspace_sptr &vanCurvesWS) {
   std::string integFullPath = "";
@@ -344,8 +370,21 @@ void EnggDiffractionPresenter::findPrecalcVanadiumCorrFilenames(
 }
 
 /**
+ * Produce the two workspaces that are required to apply Vanadium
+ * corrections. Try to load them if precalculated results are
+ * available from files, otherwise load the source Vanadium run
+ * workspace and do the calculations.
  *
- * @param vanNo
+ * @param vanNo Vanadium run number
+ *
+ * @param inputDirCalib The 'calibration files' input directory given
+ * in settings
+ *
+ * @param vanIntegWS workspace where to create/load the Vanadium
+ * spectra integration
+ *
+ * @param vanCurvesWS workspace where to create/load the Vanadium
+ * aggregated per-bank curve
  */
 void EnggDiffractionPresenter::loadOrCalcanadiumWorkspaces(
     const std::string &vanNo, const std::string &inputDirCalib,
@@ -384,7 +423,8 @@ void EnggDiffractionPresenter::loadOrCalcanadiumWorkspaces(
         << "Found precalculated Vanadium correction features for Vanadium run "
         << vanNo << ". Re-using them." << std::endl;
     try {
-      loadVanadiumWorkspaces(vanNo, inputDirCalib, vanIntegWS, vanCurvesWS);
+      loadVanadiumPrecalcWorkspaces(vanNo, inputDirCalib, vanIntegWS,
+                                    vanCurvesWS);
     } catch (std::runtime_error &re) {
       m_view->userError(
           "Error while loading precalculated Vanadium corrections",