Fix simple detection limit bugs.

The right-clicked energy wasnt always being selected in Simple MDA tool, due to using the wrong/incorrect index to select gamma.
Also, fixed a few bugs that could cause crash if no result was found.

InterSpec_resources/app_text/DetectionLimitSimple.xml

@@ -36,6 +36,7 @@
   <message id="dls-qr-tool-state-txt">Current state of the Simple MDA tool.</message>
 
   <message id="dls-det-act-with-range">Detected: {1}, range [{2}, {3}], @{4} CL</message>
+  <message id="dls-det-no-result">Sorry, no result</message>
   <message id="dls-det-counts-with-range">Excess counts: {1}, range [{2}, {3}], @{4} CL</message>
   <message id="dls-det-act-less-zero">Activity &lt; 0 {1} (observed significantly fewer counts than expected).</message>
   <message id="dls-det-counts-less-zero">Excess counts &lt; 0 {2} (observed significantly fewer counts than expected).</message>

src/DetectionLimitCalc.cpp

@@ -753,8 +753,8 @@ pair<size_t,size_t> round_roi_to_channels( shared_ptr<const SpecUtils::Measureme
   if( !cal || !cal->valid() )
     throw runtime_error( "mda_counts_calc: invalid energy calibration" );
 
-  const float peak_region_lower_ch = cal->channel_for_energy( roi_lower_energy );
-  const float peak_region_upper_ch = cal->channel_for_energy( roi_upper_energy );
+  const double peak_region_lower_ch = std::max(0.0, cal->channel_for_energy( roi_lower_energy ) );
+  const double peak_region_upper_ch = std::max(0.0, cal->channel_for_energy( roi_upper_energy ) );
 
   //if( (peak_region_lower_ch - num_lower_side_channels) < 0.0 )
   //  throw runtime_error( "mda_counts_calc: lower energy goes off spectrum" );

src/DetectionLimitSimple.cpp

@@ -824,6 +824,7 @@ void DetectionLimitSimple::setNuclide( const SandiaDecay::Nuclide *nuc,
     m_currentEnergy = energy;
 
   m_nucEnterController->setNuclideText( nuc ? nuc->symbol : string() );
+  assert( m_currentNuclide == nuc );
   m_currentNuclide = nuc;
 
   if( (age >= 0.0) && !m_nucEnterController->nuclideAgeStr().empty() )
@@ -998,6 +999,8 @@ void DetectionLimitSimple::handleNuclideChanged()
                           ? det->peakResolutionSigma( static_cast<float>(energyToSelect) )
                           : -1.0;
 
+  const float fwhm = std::max( 0.1f, PeakSearchGuiUtils::estimate_FWHM_of_foreground(energyToSelect) );
+
   size_t transition_index = 0;
   const SandiaDecay::Transition *transition = nullptr;
   PeakDef::SourceGammaType sourceGammaType = PeakDef::SourceGammaType::NormalGamma;
@@ -1015,36 +1018,38 @@ void DetectionLimitSimple::handleNuclideChanged()
   }
 
 
-  double minDE = DBL_MAX;
+  double min_scale_delta_e = DBL_MAX;
   int currentIndex = -1;
 
   for( size_t i = 0; i < photons.size(); ++i )
   {
     double energy = photons[i].energy;
     const double intensity = photons[i].numPerSecond / dummy_activity;
 
-    const double dE = fabs( energyToSelect - energy );
-    energy = floor(10000.0*energy + 0.5)/10000.0;
-
-    if( dE < minDE )
-    {
-      minDE = dE;
-      currentIndex = static_cast<int>( i );
-    }
-
-    char text[128] = { '\0' };
-    if( i < xrays.size() )
-    {
-      snprintf( text, sizeof(text), "%.4f keV xray I=%.1e", energy, intensity );
-    }else
-    {
-      snprintf( text, sizeof(text), "%.4f keV I=%.1e", energy, intensity );
-    }//if( i < xrays.size() )
-
     if( intensity > std::numeric_limits<double>::epsilon() )
     {
+      const double delta_e = fabs( energyToSelect - energy );
+      const double scale_delta_e = (0.1*fwhm + delta_e) / intensity;
+
+      energy = floor(10000.0*energy + 0.5)/10000.0;
+
+      char text[128] = { '\0' };
+      if( i < xrays.size() )
+      {
+        snprintf( text, sizeof(text), "%.4f keV xray I=%.1e", energy, intensity );
+      }else
+      {
+        snprintf( text, sizeof(text), "%.4f keV I=%.1e", energy, intensity );
+      }//if( i < xrays.size() )
+
       m_photoPeakEnergiesAndBr.push_back( make_pair(energy, intensity) );
       m_photoPeakEnergy->addItem( text );
+
+      if( scale_delta_e < min_scale_delta_e )
+      {
+        min_scale_delta_e = scale_delta_e;
+        currentIndex = static_cast<int>( m_photoPeakEnergiesAndBr.size() - 1 );
+      }
     }//if( intensity > 0.0 )
   }//for each( const double energy, energies )
 
@@ -1068,7 +1073,7 @@ void DetectionLimitSimple::handleGammaChanged()
     const int gamma_index = m_photoPeakEnergy->currentIndex();
     assert( gamma_index < static_cast<int>(m_photoPeakEnergiesAndBr.size()) );
 
-    if(  (gamma_index >= 0) && (gamma_index < static_cast<int>(m_photoPeakEnergiesAndBr.size())) )
+    if( (gamma_index >= 0) && (gamma_index < static_cast<int>(m_photoPeakEnergiesAndBr.size())) )
     {
       m_currentEnergy = m_photoPeakEnergiesAndBr[gamma_index].first;
     }else
@@ -1326,14 +1331,19 @@ void DetectionLimitSimple::updateSpectrumDecorationsAndResultText()
       const bool use_curie = use_curie_units();
       const DetectorPeakResponse::EffGeometryType det_geom = drf ? drf->geometryType() : DetectorPeakResponse::EffGeometryType::FarField;
 
-      assert( (result->input.num_lower_side_channels != 0)
+      assert( !result
+             || (result->input.num_lower_side_channels != 0)
              || (result->input.num_upper_side_channels != 0)
              || (result->input.num_lower_side_channels == result->input.num_upper_side_channels) );
 
-      const bool assertedIsBackground = ((result->input.num_lower_side_channels == 0) 
+      const bool assertedIsBackground = (result
+                                         && (result->input.num_lower_side_channels == 0)
                                           && (result->input.num_upper_side_channels == 0));
 
-      if( result->source_counts > result->decision_threshold )
+      if( !result )
+      {
+        result_txt = WString::tr("dls-det-no-result");
+      }else if( result->source_counts > result->decision_threshold )
       {
         assert( !assertedIsBackground );
 
@@ -1396,7 +1406,10 @@ void DetectionLimitSimple::updateSpectrumDecorationsAndResultText()
 
       WString full_result_txt;
 
-      if( assertedIsBackground )
+      if( !result )
+      {
+        full_result_txt = result_txt;
+      }else if( assertedIsBackground )
       {
         full_result_txt = WString( "{1}" );
       }else
@@ -1405,14 +1418,14 @@ void DetectionLimitSimple::updateSpectrumDecorationsAndResultText()
         full_result_txt.arg(result_txt);
       }//if( assertedIsBackground ) / else
 
-      if( gammas_per_bq > 0.0 )
+      if( result && (gammas_per_bq > 0.0) )
       {
         const double detection_act = result->detection_limit / gammas_per_bq;
         const string act = PhysicalUnits::printToBestActivityUnits( detection_act, 2, use_curie )
                           + DetectorPeakResponse::det_eff_geom_type_postfix( det_geom );
 
         full_result_txt.arg( WString::tr("dls-min-detectable-act").arg(act) );
-      }else
+      }else if( result )
       {
         const string counts = SpecUtils::printCompact(result->detection_limit, 4);
         full_result_txt.arg( WString::tr("dls-min-detectable-counts").arg( counts ) );

src/DetectionLimitTool.cpp

@@ -1488,7 +1488,8 @@ void DetectionLimitTool::update_spectrum_for_currie_result( D3SpectrumDisplayDiv
 
     // If number of of side channels is zero, then we expect the following
     //  variables to all be zero
-    assert( (result->input.num_lower_side_channels != 0)
+    assert( !result
+           || (result->input.num_lower_side_channels != 0)
            || ((result->first_lower_continuum_channel == 0)
                && (result->last_lower_continuum_channel == 0)
                && (result->lower_continuum_counts_sum == 0)
@@ -1497,7 +1498,7 @@ void DetectionLimitTool::update_spectrum_for_currie_result( D3SpectrumDisplayDiv
                && (result->upper_continuum_counts_sum == 0))
            );
 
-    const bool assertedNoSignal = (result->input.num_lower_side_channels == 0);
+    const bool assertedNoSignal = (input.num_lower_side_channels == 0);
 
     // We will prefer to set the highlight regions from the results, but if we dont have results
     //  we'll do it from the input.