--- branches/new_design/OOPSE-2.0/src/applications/simpleBuilder/MoLocator.hpp	2004/12/02 03:12:25	1824
+++ branches/new_design/OOPSE-2.0/src/applications/simpleBuilder/MoLocator.hpp	2004/12/02 05:04:20	1826
@@ -1,35 +1,70 @@
-#ifndef __MOLOCATOR_H__
-#define __MOLOCATOR_H__
-
-#include <vector>
-#include "primitives/Atom.hpp"
-#include "primitives/DirectionalAtom.hpp"
-#include "types/MoleculeStamp.hpp"
-#include "primitives/Molecule.hpp"
-#include "math/Vector3.hpp"
-#include "UseTheForce/ForceFields.hpp"
-
-
-//convert lattice vector to rotation matrix
-void latVec2RotMat(const Vector3d& lv, double rotMat[3][3]);
-
-class MoLocator{
-  
-public:
-  
-  MoLocator( MoleculeStamp* theStamp, ForceFields* theFF);
-
-  void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol);
-
-private:
-  
-  void calcRefCoords( void );
-  
-  MoleculeStamp* myStamp;
-  ForceFields* myFF;
-
-  vector<Vector3d> refCoords;
-  int nIntegrableObjects;
-};
-
-#endif
+#ifndef __MOLOCATOR_H__
+
+#define __MOLOCATOR_H__
+
+
+
+#include <vector>
+
+#include "primitives/Atom.hpp"
+
+#include "primitives/DirectionalAtom.hpp"
+
+#include "types/MoleculeStamp.hpp"
+
+#include "primitives/Molecule.hpp"
+
+#include "math/Vector3.hpp"
+
+#include "UseTheForce/ForceFields.hpp"
+
+
+
+
+
+//convert lattice vector to rotation matrix
+
+void latVec2RotMat(const Vector3d& lv, double rotMat[3][3]);
+
+
+
+class MoLocator{
+
+  
+
+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
+