--- branches/new_design/OOPSE-2.0/src/applications/simpleBuilder/MoLocator.hpp	2004/12/02 05:04:20	1826
+++ branches/new_design/OOPSE-2.0/src/applications/simpleBuilder/MoLocator.hpp	2005/01/06 00:16:07	1903
@@ -1,70 +1,35 @@
-#ifndef __MOLOCATOR_H__
+#ifndef __MOLOCATOR_HPP
 
-#define __MOLOCATOR_H__
+#define __MOLOCATOR_HPP
 
-
-
 #include <vector>
 
 #include "primitives/Atom.hpp"
-
 #include "primitives/DirectionalAtom.hpp"
-
 #include "types/MoleculeStamp.hpp"
-
 #include "primitives/Molecule.hpp"
-
+#include "math/SquareMatrix3.hpp"
 #include "math/Vector3.hpp"
-
-#include "UseTheForce/ForceFields.hpp"
-
-
-
-
-
+#include "UseTheForce/ForceField.hpp"
+namespace oopse {
 //convert lattice vector to rotation matrix
-
-void latVec2RotMat(const Vector3d& lv, double rotMat[3][3]);
-
-
-
+double getAtomMass(const std::string& at, ForceField* myFF);
+double getMolMass(MoleculeStamp *molStamp, ForceField *myFF);
+RotMat3x3d latVec2RotMat(const Vector3d& lv);
 class MoLocator{
+    public:
+        MoLocator( MoleculeStamp* theStamp, ForceField* theFF);
+        void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol);
+    private:
+        void calcRef( void );
+        MoleculeStamp* myStamp;
 
-  
+        ForceField* myFF;
+        std::vector<Vector3d> refCoords;
+        int nIntegrableObjects;
 
-public:
-
-  
-
-  MoLocator( MoleculeStamp* theStamp, ForceFields* theFF);
-
-
-
-  void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol);
-
-
-
-private:
-
-  
-
-  void calcRefCoords( void );
-
-  
-
-  MoleculeStamp* myStamp;
-
-  ForceFields* myFF;
-
-
-
-   std::vector<Vector3d> refCoords;
-
-  int nIntegrableObjects;
-
 };
 
-
-
+}
 #endif