--- trunk/src/applications/staticProps/pAngle.cpp	2014/04/18 19:49:54	1988
+++ trunk/src/applications/staticProps/pAngle.cpp	2015/03/07 21:41:51	2071
@@ -54,10 +54,10 @@ namespace OpenMD {
   
   pAngle::pAngle(SimInfo* info, const std::string& filename, 
                  const std::string& sele1, int nthetabins)
-    : StaticAnalyser(info, filename), selectionScript1_(sele1),  
-      evaluator1_(info),  evaluator2_(info), seleMan1_(info), seleMan2_(info), 
-      nThetaBins_(nthetabins),
-      doVect_(true), doOffset_(false) {
+    : StaticAnalyser(info, filename), doVect_(true), doOffset_(false), 
+      selectionScript1_(sele1), seleMan1_(info), seleMan2_(info),
+      evaluator1_(info),  evaluator2_(info), 
+      nThetaBins_(nthetabins) {
     
     setOutputName(getPrefix(filename) + ".pAngle");
 
@@ -73,10 +73,10 @@ namespace OpenMD {
   pAngle::pAngle(SimInfo* info, const std::string& filename, 
                  const std::string& sele1, const std::string& sele2, 
                  int nthetabins)
-    : StaticAnalyser(info, filename), selectionScript1_(sele1), 
-      selectionScript2_(sele2), evaluator1_(info), evaluator2_(info), 
-      seleMan1_(info), seleMan2_(info), nThetaBins_(nthetabins),
-      doVect_(false), doOffset_(false) {
+    : StaticAnalyser(info, filename), doVect_(false), doOffset_(false),
+      selectionScript1_(sele1), selectionScript2_(sele2), 
+      seleMan1_(info), seleMan2_(info), evaluator1_(info), evaluator2_(info), 
+      nThetaBins_(nthetabins) {
     
     setOutputName(getPrefix(filename) + ".pAngle");
 
@@ -96,10 +96,10 @@ namespace OpenMD {
 
   pAngle::pAngle(SimInfo* info, const std::string& filename, 
                  const std::string& sele1, int seleOffset, int nthetabins)
-    : StaticAnalyser(info, filename), selectionScript1_(sele1),  
-      evaluator1_(info), evaluator2_(info), seleMan1_(info), seleMan2_(info),
-      nThetaBins_(nthetabins), seleOffset_(seleOffset), 
-      doVect_(false), doOffset_(true) {
+    : StaticAnalyser(info, filename), doVect_(false), doOffset_(true), 
+      doOffset2_(false), selectionScript1_(sele1),  
+      seleMan1_(info), seleMan2_(info), evaluator1_(info), evaluator2_(info), 
+      seleOffset_(seleOffset),  nThetaBins_(nthetabins) {
     
     setOutputName(getPrefix(filename) + ".pAngle");
     
@@ -111,6 +111,26 @@ namespace OpenMD {
     count_.resize(nThetaBins_);
     histogram_.resize(nThetaBins_);    
   }
+
+  pAngle::pAngle(SimInfo* info, const std::string& filename, 
+                 const std::string& sele1, int seleOffset, int seleOffset2,
+                 int nthetabins)
+    : StaticAnalyser(info, filename), doVect_(false), doOffset_(true), 
+      doOffset2_(true), selectionScript1_(sele1),  
+      seleMan1_(info), seleMan2_(info), evaluator1_(info), evaluator2_(info),
+      seleOffset_(seleOffset), seleOffset2_(seleOffset2),
+      nThetaBins_(nthetabins) {
+    
+    setOutputName(getPrefix(filename) + ".pAngle");
+    
+    evaluator1_.loadScriptString(sele1);
+    if (!evaluator1_.isDynamic()) {
+      seleMan1_.setSelectionSet(evaluator1_.evaluate());
+    }            
+    
+    count_.resize(nThetaBins_);
+    histogram_.resize(nThetaBins_);    
+  }
   
   void pAngle::process() {
     Molecule* mol;
@@ -162,9 +182,7 @@ namespace OpenMD {
           // only do this if the stunt double actually has a vector associated
           // with it
           if (sd1->isDirectional()) {
-            Vector3d vec = sd1->getA().getColumn(2);
-            RealType distance = r1.length();
-            
+            Vector3d vec = sd1->getA().getColumn(2);            
             vec.normalize();
             r1.normalize();
             RealType cosangle = dot(r1, vec);
@@ -182,14 +200,23 @@ namespace OpenMD {
             // This will require careful rewriting if StaticProps is
             // ever parallelized.  For an example, see
             // Thermo::getTaggedAtomPairDistance
+            Vector3d r1;
             
-            int sd2Index = sd1->getGlobalIndex() + seleOffset_;
-            sd2 = info_->getIOIndexToIntegrableObject(sd2Index);
-            
-            Vector3d r1 = CenterOfMass - sd1->getPos();
+            if (doOffset2_) {
+              int sd1Aind = sd1->getGlobalIndex() + seleOffset2_;
+              StuntDouble* sd1A = info_->getIOIndexToIntegrableObject(sd1Aind);
+              r1 = CenterOfMass - sd1A->getPos();              
+            } else {
+              r1 = CenterOfMass - sd1->getPos();
+            }
+
             if (usePeriodicBoundaryConditions_)
               currentSnapshot_->wrapVector(r1);
-            
+
+
+            int sd2Index = sd1->getGlobalIndex() + seleOffset_;
+            sd2 = info_->getIOIndexToIntegrableObject(sd2Index);
+
             Vector3d r2 = CenterOfMass - sd2->getPos();
             if (usePeriodicBoundaryConditions_)
               currentSnapshot_->wrapVector(r1);