--- trunk/src/brains/Snapshot.cpp	2006/02/16 22:05:48	890
+++ trunk/src/brains/Snapshot.cpp	2007/01/03 20:47:00	1112
@@ -54,23 +54,23 @@ namespace oopse {
 namespace oopse {
 
   void  Snapshot::setHmat(const Mat3x3d& m) {
-    const double orthoTolerance = NumericConstant::epsilon;
     hmat_ = m;
     invHmat_ = hmat_.inverse();
     
+
     //prepare fortran Hmat 
-    double fortranHmat[9];
-    double fortranInvHmat[9];
+    RealType fortranHmat[9];
+    RealType fortranInvHmat[9];
     hmat_.getArray(fortranHmat);
     invHmat_.getArray(fortranInvHmat);
 
     //determine whether the box is orthoTolerance or not
     int oldOrthoRhombic = orthoRhombic_;
     
-    double smallDiag = fabs(hmat_(0, 0));
+    RealType smallDiag = fabs(hmat_(0, 0));
     if(smallDiag > fabs(hmat_(1, 1))) smallDiag = fabs(hmat_(1, 1));
     if(smallDiag > fabs(hmat_(2, 2))) smallDiag = fabs(hmat_(2, 2));    
-    double tol = smallDiag * orthoTolerance;
+    RealType tol = smallDiag * orthoTolerance_;
 
     orthoRhombic_ = 1;
 
@@ -94,7 +94,7 @@ namespace oopse {
 		 "\tThis is usually a good thing, but if you want the\n"
 		 "\tNon-Orthorhombic computations, make the orthoBoxTolerance\n"
 		 "\tvariable ( currently set to %G ) smaller.\n",
-		 orthoTolerance);
+		 orthoTolerance_);
 	painCave.severity = OOPSE_INFO;
 	simError();
       }
@@ -106,7 +106,7 @@ namespace oopse {
 		 "\tNPTf integration. If you want to live on the edge with\n"
 		 "\tthe Orthorhombic computations, make the orthoBoxTolerance\n"
 		 "\tvariable ( currently set to %G ) larger.\n",
-		 orthoTolerance);
+		 orthoTolerance_);
 	painCave.severity = OOPSE_WARNING;
 	simError();
       }
@@ -156,5 +156,32 @@ namespace oopse {
 
   }
 
+  Vector3d Snapshot::getCOM() {
+    if( !hasCOM_ ) {
+      sprintf( painCave.errMsg, "COM was requested before COM was computed!\n");
+      painCave.severity = OOPSE_ERROR;
+      simError();
+    }
+    return COM_;
+  }
+  
+  Vector3d Snapshot::getCOMvel() {
+    if( !hasCOM_ ) {
+      sprintf( painCave.errMsg, "COMvel was requested before COM was computed!\n");
+      painCave.severity = OOPSE_ERROR;
+      simError();
+    }
+    return COMvel_;
+  }
+  
+  Vector3d Snapshot::getCOMw() {
+    if( !hasCOM_ ) {
+      sprintf( painCave.errMsg, "COMw was requested before COM was computed!\n");
+      painCave.severity = OOPSE_ERROR;
+      simError();
+    }
+    return COMw_;
+  }
+ 
 }