Changes in src/analysis_correlation.hpp [790807:bd61b41]

File:

• src/analysis_correlation.hpp (modified) (4 diffs)

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] );
-double GetBin ( const double value, const double BinWidth, const double BinStart );
+int 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 );
-void OutputCorrelationToPoint( ofstream * const file, const CorrelationToPointMap * const map );
-void OutputCorrelationToSurface( ofstream * const file, const CorrelationToSurfaceMap * const map );
+void OutputPairCorrelation( ofstream * const file, const BinPairMap * const map );
+void OutputCorrelationToPoint( ofstream * const file, const BinPairMap * const map );
+void OutputCorrelationToSurface( ofstream * const file, const BinPairMap * const map );
 
 
@@ -90 +90 @@
 /** Puts given correlation data into bins of given size (histogramming).
  * Note that BinStart and BinEnd are desired to fill the complete range, even where Bins are zero. If this is
- * not desired, give equal BinStart and BinEnd and the map will contain only Bins where the count is one or greater. If a
- * certain start value is desired, give BinStart and a BinEnd that is smaller than BinStart, then only BinEnd will be
- * calculated automatically, i.e. BinStart = 0. and BinEnd = -1. .
+ * not desired, give equal BinStart and BinEnd and the map will contain only Bins where the count is one or greater.
  * Also note that the range is given inclusive, i.e. [ BinStart, BinEnd ].
  * \param *map map of doubles to count
@@ -103 +101 @@
 {
   BinPairMap *outmap = new BinPairMap;
-  double bin = 0.;
+  int bin = 0;
   double start = 0.;
   double end = 0.;
@@ -116 +114 @@
   if (BinStart == BinEnd) { // if same, find range ourselves
     GetMinMax( map, start, end);
-  } else if (BinEnd < BinStart) { // if BinEnd smaller, just look for new max
-    GetMinMax( map, start, end);
-    start = BinStart;
-  } else { // else take both values
+  } else { // if not, initialise range to zero
     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> (bin, 1) );
+    BinPairMapInserter = outmap->insert ( pair<double, int> ((double)bin*BinWidth+start, 1) );
     if (!BinPairMapInserter.second) {  // bin already present, increase
       BinPairMapInserter.first->second += 1;