--- trunk/src/applications/staticProps/NanoVolume.cpp	2007/09/17 20:11:47	1181
+++ trunk/src/applications/staticProps/NanoVolume.cpp	2008/01/08 19:36:28	1207
@@ -45,12 +45,13 @@
  *
  *  Created by Charles F. Vardeman II on 14 Dec 2006.
  *  @author  Charles F. Vardeman II
- *  @version $Id: NanoVolume.cpp,v 1.1 2007-09-17 20:11:47 chuckv Exp $
+ *  @version $Id: NanoVolume.cpp,v 1.6 2008-01-08 19:36:28 chuckv Exp $
  *
  */
 
 #include "applications/staticProps/NanoVolume.hpp"
 #include "math/ConvexHull.hpp"
+#include "math/AlphaShape.hpp"
 #include "utils/simError.h"
 #include "io/DumpReader.hpp"
 #include "primitives/Molecule.hpp"
@@ -62,16 +63,18 @@ NanoVolume::NanoVolume(SimInfo* info,
                        const std::string& filename,
                        const std::string& sele)
   : StaticAnalyser(info, filename), selectionScript_(sele), evaluator_(info), seleMan_(info) {
-  setOutputName(getPrefix(filename) + ".off");
+  setOutputName(getPrefix(filename) + ".avol");
   
   evaluator_.loadScriptString(sele);
   if (!evaluator_.isDynamic()) {
     seleMan_.setSelectionSet(evaluator_.evaluate());
   }
+  frameCounter_ = 0;
+  totalVolume_ = 0.0;
 }
 
 void NanoVolume::process() {
-  
+#if defined(HAVE_CGAL) || defined(HAVE_QHULL)
   Molecule* mol;
   Atom* atom;
   RigidBody* rb;
@@ -83,7 +86,12 @@ void NanoVolume::process() {
   Vector3d vec;
   int i,j;
 
+#ifdef HAVE_QHULL
   ConvexHull* hull = new ConvexHull();
+#endif
+#ifdef HAVE_CGAL
+  AlphaShape* hull = new AlphaShape();
+#endif
 
   DumpReader reader(info_, dumpFilename_);
   int nFrames = reader.getNFrames();
@@ -124,8 +132,25 @@ void NanoVolume::process() {
     }
     // Generate convex hull for this frame.
     hull->genHull(pos_);
-   // RealType hullVolume = hull->getVolume();
-		//std::cout <<"The volume for this hull is: "<< hullVolume << std::endl;
-		
+  //  totalVolume_ += hull->getVolume();		
   }
+  //RealType avgVolume = totalVolume_/(RealType) frameCounter_;
+  //std::cout.precision(7);
+  //std::cout  << avgVolume << std::endl;
+/*
+  std::ofstream osq(getOutputFileName().c_str());
+  osq.precision(7);
+  if (osq.is_open()){
+      osq << avgVolume << std::endl;
+
+  }
+  osq.close();
+*/
+#else
+  sprintf(painCave.errMsg, "NanoVolume: Neither CGAL nor qhull support was compiled in!\n");
+  painCave.isFatal = 1;
+  simError();  
+
+#endif
+
 }