--- trunk/src/applications/staticProps/GofRAngle.cpp	2005/02/10 18:14:03	310
+++ trunk/src/applications/staticProps/GofRAngle.cpp	2005/02/16 21:00:39	356
@@ -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_);
+    }
 }
 
 
@@ -68,9 +78,10 @@ void GofRAngle::processHistogram() {
 
 void GofRAngle::processHistogram() {
 
+    int nPairs = getNPairs();
     double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
-    double pairDensity = npairs_ /volume;
-    double pairConstant = ( 4.0 * PI * pairDensity ) / 3.0;
+    double pairDensity = nPairs /volume;
+    double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0;
 
     for(int i = 0 ; i < histogram_.size(); ++i){
 
@@ -100,13 +111,14 @@ void GofRAngle::collectHistogram(StuntDouble* sd1, Stu
     double distance = r12.length();
     int whichRBin = distance / deltaR_;
 
-    
-    double cosAngle = evaluateAngle(sd1, sd2);
-    double halfBin = (nAngleBins_ - 1) * 0.5;
-    int whichThetaBin = halfBin * (cosAngle + 1.0)
-    ++histogram_[whichRBin][whichThetaBin];
-    
-    ++npairs_;
+    if (distance <= len_) {
+        double cosAngle = evaluateAngle(sd1, sd2);
+        double halfBin = (nAngleBins_ - 1) * 0.5;
+        int whichThetaBin = halfBin * (cosAngle + 1.0);
+        ++histogram_[whichRBin][whichThetaBin];
+        
+        ++npairs_;
+    }
 }
 
 void GofRAngle::writeRdf() {
@@ -120,7 +132,7 @@ void GofRAngle::writeRdf() {
             double r = deltaR_ * (i + 0.5);
 
             for(int j = 0; j < avgGofr_[i].size(); ++j) {
-                double cosAngle = -1.0 + (i + 0.5)*deltaCosAngle_;
+                double cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_;
                 rdfStream << r << "\t" << cosAngle << "\t" << avgGofr_[i][j]/nProcessed_ << "\n";
             }
         }
@@ -139,14 +151,17 @@ double GofRTheta::evaluateAngle(StuntDouble* sd1, Stun
     Vector3d r12 = pos1 - pos2;
     currentSnapshot_->wrapVector(r12);
     r12.normalize();
-    Vector3d dipole = sd1->getElectroFrame().getColumn(2)£»
+    Vector3d dipole = sd1->getElectroFrame().getColumn(2);
     dipole.normalize();    
-    return dot();
+    return dot(r12, dipole);
 }
 
 double GofROmega::evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) {
     Vector3d v1 = sd1->getElectroFrame().getColumn(2);
     Vector3d v2 = sd1->getElectroFrame().getColumn(2);    
+    v1.normalize();
+    v2.normalize();
+    return dot(v1, v2);
 }