utils/sysbuilder/MoLocator.hpp

#ifndef __MOLOCATOR_H__
#define __MOLOCATOR_H__

#include <vector>
#include "Atom.hpp"
#include "DirectionalAtom.hpp"
#include "MoleculeStamp.hpp"
#include "Molecule.hpp"
#include "Vector3d.hpp"
#include "ForceFields.hpp"
using namespace std;

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
Revision:	1427
Committed:	Wed Jul 28 18:42:59 2004 UTC (19 years, 11 months ago) by tim
File size:	575 byte(s)
Log Message:	SimpleBuilder in progress
#	User	Rev	Content
1	gezelter	1334	#ifndef __MOLOCATOR_H__
2			#define __MOLOCATOR_H__
3
4	tim	1427	#include <vector>
5	gezelter	1334	#include "Atom.hpp"
6			#include "DirectionalAtom.hpp"
7			#include "MoleculeStamp.hpp"
8	tim	1427	#include "Molecule.hpp"
9			#include "Vector3d.hpp"
10			#include "ForceFields.hpp"
11			using namespace std;
12	gezelter	1334
13			class MoLocator{
14
15			public:
16
17	tim	1427	MoLocator( MoleculeStamp* theStamp, ForceFields* theFF);
18	gezelter	1334
19	tim	1427	void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol);
20
21	gezelter	1334	private:
22
23			void calcRefCoords( void );
24
25			MoleculeStamp* myStamp;
26	tim	1427	ForceFields* myFF;
27	gezelter	1334
28	tim	1427	vector<Vector3d> refCoords;
29			int nIntegrableObjects;
30
31	gezelter	1334	};
32
33			#endif