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 (21 years, 5 months ago) by mmeineke
File size:	510 byte(s)
Log Message:	fixed up sysBuild to where it should now build our systems
#	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	mmeineke	504	void placeMol( double pos[3], double ornt[3][3], Atom** atomArray,
16			int atomIndex );
17	mmeineke	501	double getMaxLength( void ) { return maxLength; }
18
19			private:
20
21			void calcRefCoords( void );
22	mmeineke	503	void rotMe( double r[3], double A[3][3] );
23	mmeineke	501
24			MoleculeStamp* myStamp;
25			double *myCoords;
26			double maxLength;
27	mmeineke	503	int nAtoms;
28	mmeineke	501	};
29
30
31			#endif