mdtools/headers/Molecule.hpp

#ifndef _MOLECULE_H_
#define _MOLECULE_H_

#include "Atom.hpp"
#include "SRI.hpp"

class Molecule{

public:
  
  Molecule() {}
  ~Molecule() {}

  int   getNMembers( void )  { return nMembers; }
  int   getStartAtom( void ) { return startAtom; }
  int   getEndAtom( void )   { return endAtom; }
  int   getStampID( void )   { return stampID; }
  
  void   setNMembers( int info )  { nMembers = info; }
  void   setStartAtom( int info ) { startAtom = info; }
  void   setEndAtom( int info )   { endAtom = info; }
  void   setStampID( int info )   { stampID = info; }
  

private:

  int nMembers;
  int startAtom;
  int endAtom;

  int stampID;
};

#endif
Revision:	201
Committed:	Tue Dec 10 21:41:23 2002 UTC (21 years, 7 months ago) by mmeineke
File size:	655 byte(s)
Log Message:	made some shanges to streamline the setup in SimSetup
#	User	Rev	Content
1	mmeineke	10	#ifndef _MOLECULE_H_
2			#define _MOLECULE_H_
3
4			#include "Atom.hpp"
5			#include "SRI.hpp"
6
7			class Molecule{
8
9			public:
10
11	mmeineke	117	Molecule() {}
12			~Molecule() {}
13	mmeineke	10
14	mmeineke	201	int getNMembers( void ) { return nMembers; }
15	mmeineke	117	int getStartAtom( void ) { return startAtom; }
16	mmeineke	201	int getEndAtom( void ) { return endAtom; }
17			int getStampID( void ) { return stampID; }
18	mmeineke	10
19	mmeineke	201	void setNMembers( int info ) { nMembers = info; }
20	mmeineke	117	void setStartAtom( int info ) { startAtom = info; }
21	mmeineke	201	void setEndAtom( int info ) { endAtom = info; }
22			void setStampID( int info ) { stampID = info; }
23	mmeineke	117
24	mmeineke	10
25			private:
26
27	mmeineke	112	int nMembers;
28	mmeineke	117	int startAtom;
29			int endAtom;
30	mmeineke	201
31			int stampID;
32	mmeineke	10	};
33
34			#endif