OOPSE/utils/MoLocator.hpp

#ifndef __MOLOCATOR_H__
#define __MOLOCATOR_H__

#include "Atom.hpp"
#include "MoleculeStamp.hpp"


class MoLocator{
  
public:
  
  MoLocator( MoleculeStamp* theStamp );
  ~MoLocator();

  void placeMol( double pos[3], double ornt[3][3], Atom** atomArray,
                 int atomIndex );
  double getMaxLength( void ) { return maxLength; }

private:
  
  void calcRefCoords( void );
  void rotMe( double r[3], double A[3][3] );

  MoleculeStamp* myStamp;
  double *myCoords;
  double maxLength;
  int nAtoms;
};


#endif
Revision:	504
Committed:	Thu Apr 17 21:54:18 2003 UTC (22 years ago) by mmeineke
File size:	510 byte(s)
Log Message:	fixed up sysBuild to where it should now build our systems
#	Content
1	#ifndef __MOLOCATOR_H__
2	#define __MOLOCATOR_H__
3
4	#include "Atom.hpp"
5	#include "MoleculeStamp.hpp"
6
7
8	class MoLocator{
9
10	public:
11
12	MoLocator( MoleculeStamp* theStamp );
13	~MoLocator();
14
15	void placeMol( double pos[3], double ornt[3][3], Atom** atomArray,
16	int atomIndex );
17	double getMaxLength( void ) { return maxLength; }
18
19	private:
20
21	void calcRefCoords( void );
22	void rotMe( double r[3], double A[3][3] );
23
24	MoleculeStamp* myStamp;
25	double *myCoords;
26	double maxLength;
27	int nAtoms;
28	};
29
30
31	#endif