--- trunk/SHAPES/GridBuilder.hpp	2004/06/21 15:10:29	1282
+++ trunk/SHAPES/GridBuilder.hpp	2004/06/23 20:18:48	1287
@@ -1,6 +1,7 @@
 #ifndef __GRIDBUILDER_HPP__
 #define __GRIDBUILDER_HPP__
 
+#include "MatVec3.h"
 #include "RigidBody.hpp"
 #include <iostream>
 #include <fstream>
@@ -11,34 +12,32 @@ class GridBuilder{ (public)
 class GridBuilder{
 
 public:
-  GridBuilder(RigidBody* rb, int bandWidth);
+  GridBuilder(RigidBody* rb, int gridWidth);
   virtual ~GridBuilder();
 
-  void launchProbe(int forceField, vector<double> sigmaGrid, vector<double> sGrid, 
-					 vector<double> epsGrid);
+  void launchProbe(int forceField, vector<double> sigmaGrid, 
+                   vector<double> sGrid, vector<double> epsGrid);
   void releaseProbe(double farPos);
   void calcEnergy();
-  void rotBody(double pValue, double tValue);
   void printGridFiles();
+  double passSig(int index){ return sigList[index]; }
+  double passS(int index){ return sList[index]; }
+  double passEps(int index){ return epsList[index]; }
 
 protected:
   int i, j, k, l;
-  int bandwidth;
+  int gridwidth;
   int forcefield;
   double thetaStep;
   double phiStep;
   double thetaMin;
-  double rotX[3][3];
-  double rotZ[3][3];
-  double rbMatrix[3][3];
-  double rotatedMat[3][3];
-  double angles[3];
   double probeCoor; //the probe atom motion is 1-dimensional
   double rhoStep;
   double sigDist;
   double sDist;
   double epsVal;
   double potEnergy;
+  double rparHe, epsHe;
   vector<double> potProgress;
   vector<double> distProgress;
   vector<double> sigList;