various critical fixes and improvements to the new fit interface

lib/FitInterface.cpp

@@ -407,7 +407,8 @@ void FitInterface::updateLayout(void)
 {
     if (initLayout_)
     {
-        Index size, ifit;
+        Index         size, ifit;
+        vector<Index> v;
         
         layout.nXFitDim   = 0;
         layout.nYFitDim   = 0;
@@ -416,6 +417,7 @@ void FitInterface::updateLayout(void)
         layout.totalYSize = 0;
         layout.xSize.clear();
         layout.ySize.clear();
+        layout.dataIndexSet.clear();
         layout.xDim.clear();
         layout.yDim.clear();
         layout.xFitDim.clear();
@@ -479,6 +481,7 @@ void FitInterface::updateLayout(void)
             {
                 if (p.second)
                 {
+                    layout.dataIndexSet.insert(p.first);
                     layout.y[j].push_back(s);
                     layout.yFit[j].push_back(layout.y[j].size() - 1);
                     layout.data[j].push_back(p.first);
@@ -495,7 +498,15 @@ void FitInterface::updateLayout(void)
         layout.totalSize = layout.totalXSize + layout.totalYSize;
         layout.nXFitDim  = static_cast<Index>(layout.xSize.size());
         layout.nYFitDim  = static_cast<Index>(layout.ySize.size());
-        initLayout_      = false;
+        for (Index k: layout.dataIndexSet)
+        {
+            v = dataCoord(k);
+            for (Index i = 0; i < getNXDim(); ++i)
+            {
+                layout.xIndFromData[k].push_back(indX(v[i], i));
+            }
+        }
+        initLayout_ = false;
     }
 }
 

lib/FitInterface.hpp

@@ -38,16 +38,20 @@ private:
         Index                           totalSize, totalXSize, totalYSize;
         // size of each X/Y dimension
         std::vector<Index>              xSize, ySize;
+        // set of active data indices
+        std::set<Index>                 dataIndexSet;
         // lookup tables
         // xDim        : x fit dim ifit -> x dim i
         // x           : x fit point ifit,rfit -> x point r
         // xFitDim     : x dim i -> x fit dim ifit (-1 if empty)
         // xFit        : x point i,r -> x fit point rfit (-1 if empty)
         // data        : y fit point jfit,sfit -> y point index k
-        // yFitFromData: y point indec k,j -> y fit point sfit (-1 if empty)
+        // yFitFromData: y point index k,j -> y fit point sfit (-1 if empty)
+        // xIndFromData: data index k -> index of coordinates of associated x
         std::vector<Index>                  xDim, yDim, xFitDim, yFitDim;
         std::vector<std::vector<Index>>     x, y, data, xFit, yFit;
         std::vector<std::map<Index, Index>> yFitFromData;
+        std::map<Index, std::vector<Index>> xIndFromData;
     } Layout;
 public:
     // constructor

lib/XYSampleData.cpp

@@ -207,7 +207,7 @@ void XYSampleData::setDataToSample(const Index s)
         {
             data_.x(r, i) = xData_[i][r][s];
         }
-        for (Index j = 0; j < getNXDim(); ++j)
+        for (Index j = 0; j < getNYDim(); ++j)
         for (auto &p: yData_[j])
         {
             data_.y(p.first, j) = p.second[s];
@@ -234,13 +234,15 @@ SampleFitResult XYSampleData::fit(Minimizer &minimizer, const DVec &init,
     
     SampleFitResult result;
     FitResult       sampleResult;
+    DVec            initCopy = init;
     
     result.resize(nSample_);
     result.chi2_.resize(nSample_);
     FOR_STAT_ARRAY(result, s)
     {
         setDataToSample(s);
-        sampleResult    = data_.fit(minimizer, init, v);
+        sampleResult    = data_.fit(minimizer, initCopy, v);
+        initCopy        = sampleResult.segment(0, initCopy.size());
         result[s]       = sampleResult;
         result.chi2_[s] = sampleResult.getChi2();
         result.nDof_    = sampleResult.getNDof();

lib/XYStatData.cpp

@@ -250,6 +250,7 @@ FitResult XYStatData::fit(Minimizer &minimizer, const DVec &init,
 void XYStatData::createXData(const std::string name __dumb, const Index nData)
 {
     xData_.push_back(DVec::Zero(nData));
+    xBuf_.resize(xData_.size());
     resizeVarMat();
 }
 
@@ -444,7 +445,7 @@ void XYStatData::updateChi2ModVec(const DVec p,
 {
     updateLayout();
     
-    Index nPar = v[0]->getNPar(), a = 0, j, k;
+    Index nPar = v[0]->getNPar(), a = 0, j, k, ind;
     auto  &par = p.segment(0, nPar), &xsi = p.segment(nPar, layout.totalXSize);
     
     updateXMap();
@@ -453,7 +454,12 @@ void XYStatData::updateChi2ModVec(const DVec p,
     {
         j              = layout.yDim[jfit];
         k              = layout.data[jfit][sfit];
-        chi2ModVec_(a) = (*v[j])(xMap_[k].data(), par.data());
+        for (Index i = 0; i < getNXDim(); ++i)
+        {
+            ind      = layout.xIndFromData[k][i] - layout.totalYSize;
+            xBuf_(i) = (ind >= 0) ? xsi(ind) : xMap_[k](i);
+        }
+        chi2ModVec_(a) = (*v[j])(xBuf_.data(), par.data());
         a++;
     }
     chi2ModVec_.segment(a, layout.totalXSize) = xsi;

lib/XYStatData.hpp

@@ -110,6 +110,7 @@ private:
     Mat<DMat>                            xxVar_, yyVar_, xyVar_;
     DMat                                 fitVar_, fitVarInv_;
     DVec                                 chi2DataVec_, chi2ModVec_, chi2Vec_;
+    DVec                                 xBuf_;
     bool                                 initXMap_{true};
     bool                                 initChi2DataVec_{true};
 };