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 );
  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:	503
Committed:	Wed Apr 16 21:11:37 2003 UTC (22 years ago) by mmeineke
File size:	492 byte(s)
Log Message:	almost finished.
#	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	double getMaxLength( void ) { return maxLength; }
17
18	private:
19
20	void calcRefCoords( void );
21	void rotMe( double r[3], double A[3][3] );
22
23	MoleculeStamp* myStamp;
24	double *myCoords;
25	double maxLength;
26	int nAtoms;
27	};
28
29
30	#endif