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 (21 years, 5 months ago) by mmeineke
File size:	492 byte(s)
Log Message:	almost finished.
#	User	Rev	Content
1	mmeineke	501	#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	mmeineke	503	void rotMe( double r[3], double A[3][3] );
22	mmeineke	501
23			MoleculeStamp* myStamp;
24			double *myCoords;
25			double maxLength;
26	mmeineke	503	int nAtoms;
27	mmeineke	501	};
28
29
30			#endif