Changes in / [70429af:b72091]

Location:

src

Files:

• analysis_correlation.cpp (modified) (1 diff)
• analysis_correlation.hpp (modified) (3 diffs)
• linkedcell.cpp (modified) (1 diff)

src/analysis_correlation.cpp

@@ -353 +353 @@
 };
 
-/** Returns the index of the bin for a given value.
+/** Returns the start of the bin for a given value.
  * \param value value whose bin to look for
  * \param BinWidth width of bin
  * \param BinStart first bin
  */
-int GetBin ( const double value, const double BinWidth, const double BinStart )
-{
-  Info FunctionInfo(__func__);
-  int bin =(int) (floor((value - BinStart)/BinWidth));
-  return (bin);
+double GetBin ( const double value, const double BinWidth, const double BinStart )
+{
+  Info FunctionInfo(__func__);
+  double bin =(double) (floor((value - BinStart)/BinWidth));
+  return (bin*BinWidth+BinStart);
 };
 

src/analysis_correlation.hpp

@@ -51 +51 @@
 CorrelationToPointMap *PeriodicCorrelationToPoint(MoleculeListClass * const &molecules, const element * const type, const Vector *point, const int ranges[NDIM] );
 CorrelationToSurfaceMap *PeriodicCorrelationToSurface(MoleculeListClass * const &molecules, const element * const type, const Tesselation * const Surface, const LinkedCell *LC, const int ranges[NDIM] );
-int GetBin ( const double value, const double BinWidth, const double BinStart );
+double GetBin ( const double value, const double BinWidth, const double BinStart );
 void OutputCorrelation( ofstream * const file, const BinPairMap * const map );
 void OutputPairCorrelation( ofstream * const file, const PairCorrelationMap * const map );
@@ -103 +103 @@
 {
   BinPairMap *outmap = new BinPairMap;
-  int bin = 0;
+  double bin = 0.;
   double start = 0.;
   double end = 0.;
@@ -122 +122 @@
     start = BinStart;
     end = BinEnd;
+    for (double runner = start; runner <= end; runner += BinWidth)
+      outmap->insert( pair<double, int> (runner, 0) );
   }
-  for (int runner = 0; runner <= ceil((end-start)/BinWidth); runner++)
-    outmap->insert( pair<double, int> ((double)runner*BinWidth+start, 0) );
 
   for (typename T::iterator runner = map->begin(); runner != map->end(); ++runner) {
     bin = GetBin (runner->first, BinWidth, start);
-    BinPairMapInserter = outmap->insert ( pair<double, int> ((double)bin*BinWidth+start, 1) );
+    BinPairMapInserter = outmap->insert ( pair<double, int> (bin, 1) );
     if (!BinPairMapInserter.second) {  // bin already present, increase
       BinPairMapInserter.first->second += 1;

src/linkedcell.cpp

@@ -46 +46 @@
   min.Zero();
   Log() << Verbose(1) << "Begin of LinkedCell" << endl;
-  if ((set == NULL) || (set->IsEmpty())) {
-    eLog() << Verbose(1) << "set is NULL or contains no linked cell nodes!" << endl;
+  if (set->IsEmpty()) {
+    eLog() << Verbose(1) << "set contains no linked cell nodes!" << endl;
     return;
   }