--- trunk/src/applications/staticProps/GofRAngle.cpp	2005/02/13 20:36:24	328
+++ trunk/src/applications/staticProps/GofRAngle.cpp	2005/02/17 16:21:07	360
@@ -46,9 +46,19 @@ namespace oopse {
 
 namespace oopse {
 
-GofRAngle::GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2)
-    : RadialDistrFunc(info, filename, sele1, sele2){
+GofRAngle::GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, 
+    const std::string& sele2, double len, int nrbins, int nangleBins)
+    : RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins), nAngleBins_(nangleBins){
 
+    deltaR_ = len_ /nRBins_;             
+    deltaCosAngle_ = 2.0 / nAngleBins_;    
+
+    histogram_.resize(nRBins_);
+    avgGofr_.resize(nRBins_);
+    for (int i = 0 ; i < nRBins_; ++i) {
+        histogram_[i].resize(nAngleBins_);
+        avgGofr_[i].resize(nAngleBins_);
+    }
 }
 
 
@@ -68,8 +78,9 @@ void GofRAngle::processHistogram() {
 
 void GofRAngle::processHistogram() {
 
+    int nPairs = getNPairs();
     double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
-    double pairDensity = npairs_ /volume;
+    double pairDensity = nPairs /volume;
     double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0;
 
     for(int i = 0 ; i < histogram_.size(); ++i){
@@ -116,19 +127,23 @@ void GofRAngle::writeRdf() {
         rdfStream << "#radial distribution function\n";
         rdfStream << "#selection1: (" << selectionScript1_ << ")\t";
         rdfStream << "selection2: (" << selectionScript2_ << ")\n";
-        rdfStream << "#r\tcorrValue\n";
+        rdfStream << "#nRBins = " << nRBins_ << "\t maxLen = " << len_ << "deltaR = " << deltaR_ <<"\n";
+        rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n";
         for (int i = 0; i < avgGofr_.size(); ++i) {
             double r = deltaR_ * (i + 0.5);
 
             for(int j = 0; j < avgGofr_[i].size(); ++j) {
-                double cosAngle = -1.0 + (i + 0.5)*deltaCosAngle_;
-                rdfStream << r << "\t" << cosAngle << "\t" << avgGofr_[i][j]/nProcessed_ << "\n";
+                double cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_;
+                rdfStream << avgGofr_[i][j]/nProcessed_ << "\t";
             }
+
+            rdfStream << "\n";
         }
         
     } else {
-
-
+        sprintf(painCave.errMsg, "GofRAngle: unable to open %s\n", outputFilename_.c_str());
+        painCave.isFatal = 1;
+        simError();  
     }
 
     rdfStream.close();