--- trunk/src/applications/staticProps/GofXyz.cpp	2005/02/10 18:14:03	310
+++ trunk/src/applications/staticProps/GofXyz.cpp	2005/02/17 16:21:07	360
@@ -46,31 +46,45 @@ namespace oopse {
 
 namespace oopse {
 
-GofXyz::GofXyz(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2)
-    : RadialDistrFunc(info, filename, sele1, sele2){
+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) {
+    setOutputName(getPrefix(filename) + ".gxyz");
 
+    deltaR_ = len_ / nRBins_;
+    
+    histogram_.resize(nRBins_);
+    for (int i = 0 ; i < nRBins_; ++i) {
+        histogram_[i].resize(nRBins_);
+        for(int j = 0; j < nRBins_; ++j) {
+            histogram_[i][j].resize(nRBins_);
+        }
+    }   
 }
 
 
 void GofXyz::preProcess() {
-
+    /*
     for (int i = 0; i < avgGofr_.size(); ++i) {
         std::fill(avgGofr_[i].begin(), avgGofr_[i].end(), 0);
     }
+    */
 }
 
 void GofXyz::initalizeHistogram() {
+    /*
     npairs_ = 0;
     for (int i = 0; i < histogram_.size(); ++i)
         std::fill(histogram_[i].begin(), histogram_[i].end(), 0);
+    */
 }
 
 
 void GofXyz::processHistogram() {
 
+    /*
     double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
     double pairDensity = npairs_ /volume;
-    double pairConstant = ( 4.0 * PI * pairDensity ) / 3.0;
+    double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0;
 
     for(int i = 0 ; i < histogram_.size(); ++i){
 
@@ -83,11 +97,12 @@ void GofXyz::processHistogram() {
             avgGofr_[i][j] += histogram_[i][j] / nIdeal;    
         }
     }
-
+    */
 }
 
 void GofXyz::collectHistogram(StuntDouble* sd1, StuntDouble* sd2) {
 
+    /*
     if (sd1 == sd2) {
         return;
     }
@@ -107,6 +122,7 @@ void GofXyz::collectHistogram(StuntDouble* sd1, StuntD
     ++histogram_[whichRBin][whichThetaBin];
     
     ++npairs_;
+    */
 }
 
 void GofXyz::writeRdf() {
@@ -123,14 +139,17 @@ void GofXyz::writeRdf() {
                 double y = deltaR_ * (j+ 0.5);
 
                 for(int k = 0;k < histogram_[i].size(); ++k) {
-                double z = deltaR_ * (k + 0.5); 
-                rdfStream << x << "\t" << y << "\t" <<  z << "\t" << histogram_[i][j][k]/nProcessed_ << "\n";
+                    double z = deltaR_ * (k + 0.5); 
+                    rdfStream << x << "\t" << y << "\t" <<  z << "\t" << histogram_[i][j][k]/nProcessed_ << "\n";
+                }
             }
         }
         
     } else {
 
-
+        sprintf(painCave.errMsg, "GofXyz: unable to open %s\n", outputFilename_.c_str());
+        painCave.isFatal = 1;
+        simError();  
     }
 
     rdfStream.close();