--- trunk/src/applications/staticProps/GofXyz.cpp	2005/02/17 18:30:54	361
+++ trunk/src/applications/staticProps/GofXyz.cpp	2005/02/17 20:15:29	365
@@ -47,10 +47,10 @@ GofXyz::GofXyz(SimInfo* info, const std::string& filen
 namespace oopse {
 
 GofXyz::GofXyz(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins)
-    : RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins) {
+    : RadialDistrFunc(info, filename, sele1, sele2), len_(len), halfLen_(len/2), nRBins_(nrbins) {
     setOutputName(getPrefix(filename) + ".gxyz");
 
-    deltaR_ = len_ / nRBins_;
+    deltaR_ =  len_ / nRBins_;
     
     histogram_.resize(nRBins_);
     for (int i = 0 ; i < nRBins_; ++i) {
@@ -135,32 +135,33 @@ void GofXyz::collectHistogram(StuntDouble* sd1, StuntD
     double y = dot(r12, i->second.yaxis);
     double z = dot(r12, i->second.zaxis);
 
-    int xbin = x / deltaR_;
-    int ybin = y / deltaR_;
-    int zbin = z / deltaR_;
+    // x, y and z's possible values range -halfLen_ to halfLen_
+    int xbin = (x+ halfLen_) / deltaR_;
+    int ybin = (y + halfLen_) / deltaR_;
+    int zbin = (z + halfLen_) / deltaR_;
 
-    if (xbin < nRBins_ && ybin < nRBins_ && zbin < nRBins_) {
-        ++histogram_[x][y][z];
+    if (xbin < nRBins_ && xbin >=0 &&
+        ybin < nRBins_ && ybin >= 0 &&
+        zbin < nRBins_ && zbin >=0 ) {
+        ++histogram_[xbin][ybin][zbin];
     }
     
 }
 
 void GofXyz::writeRdf() {
-    std::ofstream rdfStream(outputFilename_.c_str());
+    std::ofstream rdfStream(outputFilename_.c_str(), std::ios::binary);
     if (rdfStream.is_open()) {
-        rdfStream << "#g(x, y, z)\n";
-        rdfStream << "#selection1: (" << selectionScript1_ << ")\t";
-        rdfStream << "selection2: (" << selectionScript2_ << ")\n";
-        rdfStream << "#nRBins = " << nRBins_ << "\t maxLen = " << len_ << "deltaR = " << deltaR_ <<"\n";
+        //rdfStream << "#g(x, y, z)\n";
+        //rdfStream << "#selection1: (" << selectionScript1_ << ")\t";
+        //rdfStream << "selection2: (" << selectionScript2_ << ")\n";
+        //rdfStream << "#nRBins = " << nRBins_ << "\t maxLen = " << len_ << "deltaR = " << deltaR_ <<"\n";
         for (int i = 0; i < histogram_.size(); ++i) {
  
             for(int j = 0; j < histogram_[i].size(); ++j) {
  
                 for(int k = 0;k < histogram_[i].size(); ++k) {
- 
-                    rdfStream << histogram_[i][j][k]/nProcessed_ << "\t";
+                    rdfStream.write(reinterpret_cast<char *>(&histogram_[i][j][k] ), sizeof(histogram_[i][j][k] ));
                 }
-                rdfStream << "\n";                
             }
         }