--- trunk/SHAPES/RigidBody.cpp	2004/06/15 22:36:23	1275
+++ trunk/SHAPES/RigidBody.cpp	2004/06/17 21:27:38	1276
@@ -15,8 +15,6 @@ void RigidBody::addAtom(VDWAtom* at) {
 void RigidBody::addAtom(VDWAtom* at) {
 
   vec3 coords;
-  vec3 euler;
-  mat3x3 Atmp;
 
   myAtoms.push_back(at);
    
@@ -175,14 +173,13 @@ void RigidBody::calcRefCoords( ) {
 
 void RigidBody::calcRefCoords( ) {
 
-  int i,j,k, it, n_linear_coords;
+  int i, j, it, n_linear_coords;
   double mtmp;
   vec3 apos;
   double refCOM[3];
   vec3 ptmp;
   double Itmp[3][3];
   double evals[3];
-  double evects[3][3];
   double r, r2, len;
 
   // First, find the center of mass:
@@ -284,7 +281,7 @@ void RigidBody::doEulerToRotMat(vec3 &euler, mat3x3 &m
   }
 }
 
-void RigidBody::doEulerToRotMat(vec3 &euler, mat3x3 &myA ){
+void RigidBody::doEulerToRotMat(double euler[3], double myA[3][3] ){
 
   double phi, theta, psi;
   
@@ -344,12 +341,9 @@ void RigidBody::getEulerAngles(double myEuler[3]) {
   
   
   double phi,theta,psi,eps;
-  double pi;
-  double cphi,ctheta,cpsi;
-  double sphi,stheta,spsi;
-  double b[3];
-  int flip[3];
-  
+  double ctheta;
+  double stheta;
+    
   // set the tolerance for Euler angles and rotation elements
   
   eps = 1.0e-8;
@@ -398,6 +392,29 @@ double RigidBody::min(double x, double  y) {  
 
 double RigidBody::min(double x, double  y) {  
   return (x > y) ? y : x;
+}
+
+double RigidBody::findMaxExtent(){
+	int i;
+	double refAtomPos[3];
+	double maxExtent;
+	double tempExtent;
+	
+	//zero the extent variables
+	maxExtent = 0.0;
+	tempExtent = 0.0;
+	for (i=0; i<3; i++)
+		refAtomPos[i] = 0.0;
+	
+	//loop over all atoms
+	for (i=0; i<myAtoms.size(); i++){
+		getAtomRefCoor(refAtomPos, i);
+		tempExtent = sqrt(refAtomPos[0]*refAtomPos[0] + refAtomPos[1]*refAtomPos[1] 
+						  + refAtomPos[2]*refAtomPos[2]);
+		if (tempExtent > maxExtent)
+			maxExtent = tempExtent;
+	}
+	return maxExtent;
 }
 
 void RigidBody::findCOM() {
@@ -406,8 +423,7 @@ void RigidBody::findCOM() {
   int j;
   double mtmp;
   double ptmp[3];
-  double vtmp[3];
-  
+   
   for(j = 0; j < 3; j++) {
     pos[j] = 0.0;
   }