--- branches/development/src/applications/staticProps/SpatialStatistics.cpp	2013/04/17 18:24:08	1865
+++ trunk/src/applications/staticProps/SpatialStatistics.cpp	2013/06/18 17:48:52	1887
@@ -43,6 +43,10 @@
 #include "applications/staticProps/SpatialStatistics.hpp"
 #include "io/DumpReader.hpp"
 #include "primitives/Molecule.hpp"
+#ifdef _MSC_VER
+#define isnan(x) _isnan((x))
+#define isinf(x) (!_finite(x) && !_isnan(x))
+#endif
 
 namespace OpenMD {
   
@@ -137,7 +141,7 @@ namespace OpenMD {
       processStuntDouble( sd, bin );
 
       dynamic_cast<Accumulator *>(counts_->accumulator[bin])->add(1);
-    }      
+    }
   }
   
 
@@ -221,15 +225,13 @@ namespace OpenMD {
     int n = dat->accumulator[bin]->count();
     if (n == 0) return;
 
-    RealType r;
-    Vector3d v;
-
     if( dat->dataType == odtReal ) {
+      RealType r;
       dynamic_cast<Accumulator*>(dat->accumulator[bin])->getAverage(r);      
       if (isinf(r) || isnan(r) ) {      
         sprintf( painCave.errMsg,
                  "SpatialStatistics detected a numerical error writing:\n"
-                 "\t%s for bin %d",
+                 "\t%s for bin %u",
                  dat->title.c_str(), bin);
         painCave.isFatal = 1;
         simError();
@@ -238,13 +240,14 @@ namespace OpenMD {
       os << "\t" << r;      
 
     } else if ( dat->dataType == odtVector3 ) {
+      Vector3d v;
       dynamic_cast<VectorAccumulator*>(dat->accumulator[bin])->getAverage(v);
       if (isinf(v[0]) || isnan(v[0]) || 
           isinf(v[1]) || isnan(v[1]) || 
           isinf(v[2]) || isnan(v[2]) ) {      
         sprintf( painCave.errMsg,
                  "SpatialStatistics detected a numerical error writing:\n"
-                 "\t%s for bin %d",
+                 "\t%s for bin %u",
                  dat->title.c_str(), bin);
         painCave.isFatal = 1;
         simError();
@@ -260,15 +263,13 @@ namespace OpenMD {
     int n = dat->accumulator[bin]->count();
     if (n == 0) return;
 
-    RealType r;
-    Vector3d v;
-
     if( dat->dataType == odtReal ) {
+      RealType r;
       dynamic_cast<Accumulator*>(dat->accumulator[bin])->getStdDev(r);      
       if (isinf(r) || isnan(r) ) {      
         sprintf( painCave.errMsg,
                  "SpatialStatistics detected a numerical error writing:\n"
-                 "\tstandard deviation of %s for bin %d",
+                 "\tstandard deviation of %s for bin %u",
                  dat->title.c_str(), bin);
         painCave.isFatal = 1;
         simError();
@@ -277,13 +278,14 @@ namespace OpenMD {
       os << "\t" << r;      
 
     } else if ( dat->dataType == odtVector3 ) {
+      Vector3d v;
       dynamic_cast<VectorAccumulator*>(dat->accumulator[bin])->getStdDev(v);
       if (isinf(v[0]) || isnan(v[0]) || 
           isinf(v[1]) || isnan(v[1]) || 
           isinf(v[2]) || isnan(v[2]) ) {      
         sprintf( painCave.errMsg,
                  "SpatialStatistics detected a numerical error writing:\n"
-                 "\tstandard deviation of %s for bin %d",
+                 "\tstandard deviation of %s for bin %u",
                  dat->title.c_str(), bin);
         painCave.isFatal = 1;
         simError();
@@ -320,8 +322,13 @@ namespace OpenMD {
     data_.push_back(z_);
   }
 
+  SlabStatistics::~SlabStatistics() {
+  }
+
+
   void SlabStatistics::processFrame(int istep) {
     RealType z;
+
     hmat_ = currentSnapshot_->getHmat();
     for (int i = 0; i < nBins_; i++) {
       z = (((RealType)i + 0.5) / (RealType)nBins_) * hmat_(2,2);
@@ -342,14 +349,12 @@ namespace OpenMD {
     return int(nBins_ * (pos.z() / hmat_(2,2) + 0.5)) % nBins_;  
   }
 
-
   ShellStatistics::ShellStatistics(SimInfo* info, const string& filename, 
                                    const string& sele, int nbins) : 
-    SpatialStatistics(info, filename, sele, nbins){
+    SpatialStatistics(info, filename, sele, nbins), coordinateOrigin_(V3Zero) {
     
-    coordinateOrigin_ = V3Zero;
     binWidth_ = 1.0;
-
+    
     r_ = new OutputData;
     r_->units =  "Angstroms";
     r_->title =  "R";
@@ -366,6 +371,9 @@ namespace OpenMD {
     }
   }
 
+  ShellStatistics::~ShellStatistics() {
+  }
+
   int ShellStatistics::getBin(Vector3d pos) {    
     Vector3d rPos = pos - coordinateOrigin_;
     return int(rPos.length() / binWidth_);