Merge remote-tracking branch 'origin/feature/8118_FindUBUsingIndexedP…

…eaks_tolerance'

Code/Mantid/Framework/Crystal/src/FindUBUsingIndexedPeaks.cpp

@@ -11,6 +11,7 @@ Given a set of peaks at least three of which have been assigned Miller indices,
 #include "MantidGeometry/Crystal/IndexingUtils.h"
 #include "MantidGeometry/Crystal/OrientedLattice.h"
 #include "MantidKernel/System.h"
+#include "MantidKernel/BoundedValidator.h"
 #include <cstdio>
 
 namespace Mantid
@@ -65,6 +66,9 @@ namespace Crystal
   {
     this->declareProperty(new WorkspaceProperty<PeaksWorkspace>(
           "PeaksWorkspace","",Direction::InOut), "Input Peaks Workspace");
+    boost::shared_ptr<BoundedValidator<double> > mustBePositive(new BoundedValidator<double>());
+    mustBePositive->setLower(0.0);
+    this->declareProperty("Tolerance",0.1, mustBePositive, "Indexing Tolerance (0.1)");
   }
 
   //--------------------------------------------------------------------------
@@ -130,7 +134,7 @@ namespace Crystal
       {
         q_vectors.push_back( peaks[i].getQSampleFrame() );
       }
-      double tolerance = 0.1;
+      double tolerance   = this->getProperty("Tolerance");
       int num_indexed = IndexingUtils::NumberIndexed(UB, q_vectors, tolerance);
 
       char logInfo[200];

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

@@ -293,6 +293,9 @@ private slots:
   /// Slot to enable/disable the find UB using FFT controls
   void setEnabledFindUBFFTParams_slot( bool on );
 
+  /// Slot to enable/disable the find UB using Indexed Peaks controls
+  void setEnabledFindUBUsingIndexedPeaksParams_slot( bool on );
+
   /// Slot to enable/disable the load UB controls
   void setEnabledLoadUBParams_slot( bool on );
 

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

@@ -57,7 +57,7 @@
       <string/>
      </property>
      <property name="currentIndex">
-      <number>4</number>
+      <number>2</number>
      </property>
      <widget class="QWidget" name="SelectData">
       <attribute name="title">
@@ -609,7 +609,7 @@
        <property name="geometry">
         <rect>
          <x>40</x>
-         <y>150</y>
+         <y>140</y>
          <width>431</width>
          <height>27</height>
         </rect>
@@ -759,6 +759,22 @@
         <string>0.12</string>
        </property>
       </widget>
+      <widget class="QLineEdit" name="IndexedPeaksTolerance_ledt">
+       <property name="geometry">
+        <rect>
+         <x>410</x>
+         <y>160</y>
+         <width>81</width>
+         <height>24</height>
+        </rect>
+       </property>
+       <property name="toolTip">
+        <string>Maximum distance of h,k or l from integer values to&lt;br&gt; consider a peak to be indexed.</string>
+       </property>
+       <property name="text">
+        <string>0.1</string>
+       </property>
+      </widget>
       <widget class="QLabel" name="FFTTolerance_lbl">
        <property name="geometry">
         <rect>
@@ -917,6 +933,19 @@
         <string>Use Current UB (if already found or loaded)</string>
        </property>
       </widget>
+      <widget class="QLabel" name="IndexedPeaksTolerance_lbl">
+       <property name="geometry">
+        <rect>
+         <x>70</x>
+         <y>160</y>
+         <width>331</width>
+         <height>31</height>
+        </rect>
+       </property>
+       <property name="text">
+        <string>Tolerance</string>
+       </property>
+      </widget>
      </widget>
      <widget class="QWidget" name="ChooseCell">
       <attribute name="title">

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

@@ -98,7 +98,7 @@ class DLLExport MantidEVWorker
                        double              tolerance );
 
   /// Index the peaks using the indexing of the peaks in the peaks workspace
-  bool findUBUsingIndexedPeaks( const std::string & peaks_ws_name );
+  bool findUBUsingIndexedPeaks(const std::string & peaks_ws_name, double tolerance );
 
   /// Load the UB matrix from a file
   bool loadIsawUB( const std::string & peaks_ws_name,

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

@@ -345,6 +345,7 @@ void MantidEV::initLayout()
    m_uiForm.MinD_ledt->setValidator( new QDoubleValidator(m_uiForm.MinD_ledt));
    m_uiForm.MaxD_ledt->setValidator( new QDoubleValidator(m_uiForm.MaxD_ledt));
    m_uiForm.FFTTolerance_ledt->setValidator( new QDoubleValidator(m_uiForm.FFTTolerance_ledt));
+   m_uiForm.IndexedPeaksTolerance_ledt->setValidator( new QDoubleValidator(m_uiForm.IndexedPeaksTolerance_ledt));
    m_uiForm.MaxGoniometerChange_ledt->setValidator( new QDoubleValidator(m_uiForm.MaxGoniometerChange_ledt));
    m_uiForm.IndexingTolerance_ledt->setValidator( new QDoubleValidator(m_uiForm.IndexingTolerance_ledt));
    m_uiForm.MaxScalarError_ledt->setValidator( new QDoubleValidator(m_uiForm.MaxScalarError_ledt));
@@ -404,6 +405,7 @@ void MantidEV::setDefaultState_slot()
    m_uiForm.MaxD_ledt->setText("15");
    m_uiForm.FFTTolerance_ledt->setText("0.12");
    m_uiForm.FindUBUsingIndexedPeaks_rbtn->setChecked(false);
+   m_uiForm.IndexedPeaksTolerance_ledt->setText("0.1");
    m_uiForm.LoadISAWUB_rbtn->setChecked(false);
    m_uiForm.SelectUBFile_ledt->setText("");
    m_uiForm.OptimizeGoniometerAngles_ckbx->setChecked(false);
@@ -800,7 +802,12 @@ void MantidEV::findUB_slot()
 
    else if ( use_IndexedPeaks )
    {
-     if ( !worker->findUBUsingIndexedPeaks( peaks_ws_name ) )
+	   double indPeaks_tolerance   = 0.1;
+
+	   if ( !getPositiveDouble( m_uiForm.IndexedPeaksTolerance_ledt, indPeaks_tolerance ) )
+	     return;
+
+     if ( !worker->findUBUsingIndexedPeaks( peaks_ws_name,indPeaks_tolerance) )
      {
        errorMessage( "Find UB Using Indexed Peaks Failed" );
        return;
@@ -1521,6 +1528,17 @@ void MantidEV::setEnabledFindUBFFTParams_slot( bool on )
   m_uiForm.FFTTolerance_ledt->setEnabled( on );
 }
 
+/**
+ * Set the enabled state of the find UB using Indexed Peaks components to the
+ * specified value.
+ *
+ * @param on  If true, components will be enabled, if false, disabled.
+ */
+void MantidEV::setEnabledFindUBUsingIndexedPeaksParams_slot( bool on )
+{
+  m_uiForm.IndexedPeaksTolerance_lbl->setEnabled( on );
+  m_uiForm.IndexedPeaksTolerance_ledt->setEnabled( on );
+}
 
 /**
  * Set the enabled state of the load UB file components to the
@@ -1907,6 +1925,7 @@ void MantidEV::saveSettings( const std::string & filename )
   state->setValue("MaxD_ledt", m_uiForm.MaxD_ledt->text());
   state->setValue("FFTTolerance_ledt", m_uiForm.FFTTolerance_ledt->text());
   state->setValue("FindUBUsingIndexedPeaks_rbtn", m_uiForm.FindUBUsingIndexedPeaks_rbtn->isChecked());
+  state->setValue("IndexedPeaksTolerance_ledt", m_uiForm.IndexedPeaksTolerance_ledt->text());
   state->setValue("LoadISAWUB_rbtn", m_uiForm.LoadISAWUB_rbtn->isChecked());
   state->setValue("SelectUBFile_ledt", m_uiForm.SelectUBFile_ledt->text());
   state->setValue("OptimizeGoniometerAngles_ckbx", m_uiForm.OptimizeGoniometerAngles_ckbx->isChecked());
@@ -2007,6 +2026,7 @@ void MantidEV::loadSettings( const std::string & filename )
   restore( state, "MaxD_ledt", m_uiForm.MaxD_ledt );
   restore( state, "FFTTolerance_ledt", m_uiForm.FFTTolerance_ledt );
   restore( state, "FindUBUsingIndexedPeaks_rbtn", m_uiForm.FindUBUsingIndexedPeaks_rbtn );
+  restore( state, "IndexedPeaksTolerance_ledt", m_uiForm.IndexedPeaksTolerance_ledt );
   restore( state, "LoadISAWUB_rbtn", m_uiForm.LoadISAWUB_rbtn );
   restore( state, "SelectUBFile_ledt", m_uiForm.SelectUBFile_ledt );
   restore( state, "OptimizeGoniometerAngles_ckbx", m_uiForm.OptimizeGoniometerAngles_ckbx );

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

@@ -369,13 +369,14 @@ bool MantidEVWorker::findUBUsingFFT( const std::string & peaks_ws_name,
  *
  *  @return true if FindUBusingIndexedPeaks completed successfully.
  */
-bool MantidEVWorker::findUBUsingIndexedPeaks(const std::string & peaks_ws_name)
+bool MantidEVWorker::findUBUsingIndexedPeaks(const std::string & peaks_ws_name, double tolerance )
 {
   if ( !isPeaksWorkspace( peaks_ws_name ) )
     return false;
 
   IAlgorithm_sptr alg = AlgorithmManager::Instance().create("FindUBUsingIndexedPeaks");
   alg->setProperty("PeaksWorkspace",peaks_ws_name);
+  alg->setProperty("Tolerance",tolerance);
 
   if ( alg->execute() )
     return true;