--- trunk/OOPSE/libmdtools/Mat3x3d.cpp	2004/08/09 14:50:35	1451
+++ trunk/OOPSE/libmdtools/Mat3x3d.cpp	2004/08/23 15:11:36	1452
@@ -24,22 +24,22 @@ Mat3x3d::Mat3x3d(const Quaternion& q){
   double q2Sqr;
   double q3Sqr;
 
-  q0Sqr = q.quat[0] * q.quat[0];
-  q1Sqr = q.quat[1] * q.quat[1];
-  q2Sqr = q.quat[2] * q.quat[2];
-  q3Sqr = q.quat[3] * q.quat[3];
+  q0Sqr = q.x * q.x;
+  q1Sqr = q.y * q.y;
+  q2Sqr = q.z * q.z;
+  q3Sqr = q.w * q.w;
   
   
   element[0][0]= q0Sqr + q1Sqr - q2Sqr - q3Sqr;
-  element[0][1] = 2.0 * ( q.quat[1] * q.quat[2] + q.quat[0] * q.quat[3] );
-  element[0][2] = 2.0 * ( q.quat[1] * q.quat[3] - q.quat[0] * q.quat[2] );
+  element[0][1] = 2.0 * ( q.y * q.z + q.x * q.w );
+  element[0][2] = 2.0 * ( q.y * q.w - q.x * q.z );
   
-  element[1][0] = 2.0 * ( q.quat[1] * q.quat[2] - q.quat[0] * q.quat[3] );
+  element[1][0] = 2.0 * ( q.y * q.z - q.x * q.w );
   element[1][1] = q0Sqr - q1Sqr + q2Sqr - q3Sqr;
-  element[1][2] = 2.0 * ( q.quat[2] * q.quat[3] + q.quat[0] * q.quat[1] );
+  element[1][2] = 2.0 * ( q.z * q.w + q.x * q.y );
   
-  element[2][0] = 2.0 * ( q.quat[1] * q.quat[3] + q.quat[0] * q.quat[2] );
-  element[2][1] = 2.0 * ( q.quat[2] * q.quat[3] - q.quat[0] * q.quat[1] );
+  element[2][0] = 2.0 * ( q.y * q.w + q.x * q.z );
+  element[2][1] = 2.0 * ( q.z * q.w - q.x * q.y );
   element[2][2] = q0Sqr - q1Sqr -q2Sqr +q3Sqr;
   
 }
@@ -142,10 +142,10 @@ Quaternion Mat3x3d::toQuaternion(){
   if( t > 0.0 ){
     
     s = 0.5 / sqrt( t );
-    q.quat[0] = 0.25 / s;
-    q.quat[1] = (element[1][2] - element[2][1]) * s;
-    q.quat[2] = (element[2][0] - element[0][2]) * s;
-    q.quat[3] = (element[0][1] - element[1][0]) * s;
+    q.x = 0.25 / s;
+    q.y = (element[1][2] - element[2][1]) * s;
+    q.z = (element[2][0] - element[0][2]) * s;
+    q.w = (element[0][1] - element[1][0]) * s;
   }
   else{
     
@@ -155,24 +155,24 @@ Quaternion Mat3x3d::toQuaternion(){
     
     if( ad1 >= ad2 && ad1 >= ad3 ){  	
     	s = 2.0 * sqrt( 1.0 + element[0][0] - element[1][1] - element[2][2] );
-    	q.quat[0] = (element[1][2] + element[2][1]) / s;
-    	q.quat[1] = 0.5 / s;
-    	q.quat[2] = (element[0][1] + element[1][0]) / s;
-    	q.quat[3] = (element[0][2] + element[2][0]) / s;
+    	q.x = (element[1][2] + element[2][1]) / s;
+    	q.y = 0.5 / s;
+    	q.z = (element[0][1] + element[1][0]) / s;
+    	q.w = (element[0][2] + element[2][0]) / s;
     }
     else if( ad2 >= ad1 && ad2 >= ad3 ){        	
       s = sqrt( 1.0 + element[1][1] - element[0][0] - element[2][2] ) * 2.0;
-      q.quat[0] = (element[0][2] + element[2][0]) / s;
-      q.quat[1] = (element[0][1] + element[1][0]) / s;
-      q.quat[2] = 0.5 / s;
-      q.quat[3] = (element[1][2] + element[2][1]) / s;
+      q.x = (element[0][2] + element[2][0]) / s;
+      q.y = (element[0][1] + element[1][0]) / s;
+      q.z = 0.5 / s;
+      q.w = (element[1][2] + element[2][1]) / s;
     }
     else{
       s = sqrt( 1.0 + element[2][2] - element[0][0] - element[1][1] ) * 2.0;
-      q.quat[0] = (element[0][1] + element[1][0]) / s;
-      q.quat[1] = (element[0][2] + element[2][0]) / s;
-      q.quat[2] = (element[1][2] + element[2][1]) / s;
-      q.quat[3] = 0.5 / s;
+      q.x = (element[0][1] + element[1][0]) / s;
+      q.y = (element[0][2] + element[2][0]) / s;
+      q.z = (element[1][2] + element[2][1]) / s;
+      q.w = 0.5 / s;
     }
   }  
   return q;