OOPSE/libBASS/RigidBodyStamp.hpp

#ifndef __RIGIDBODYSTAMP_H__
#define __RIGIDBODYSTAMP_H__

#include "AtomStamp.hpp"
#include "LinkedAssign.hpp"

class RigidBodyStamp{

public:
  RigidBodyStamp();
  ~RigidBodyStamp();

  void setPosition( double x, double y, double z );
  void setOrientation( double x, double y, double z );
  char* assignString( char* lhs, char* rhs );
  char* assignDouble( char* lhs, double rhs );
  char* assignInt( char* lhs, int rhs );
  char* checkMe( void );

  char* addAtom( AtomStamp* the_atom, int atomIndex );

  char* getID( void )        { return name; }
  int   getNAtoms( void )    { return n_atoms; }
  short int havePosition( void ) { return have_position; }
  short int haveOrientation( void ) { return have_orientation; }
  double getPosX( void ) { return pos[0]; }
  double getPosY( void ) { return pos[1]; }
  double getPosZ( void ) { return pos[2]; }
  double getOrntX( void ) { return ornt[0]; }
  double getOrntY( void ) { return ornt[1]; }
  double getOrntZ( void ) { return ornt[2]; }

  AtomStamp* getAtom( int index ) { return atoms[index]; }

  int haveExtras( void ) { return have_extras; }
  LinkedAssign* getUnhandled( void ) { return unhandled; }

  static char errMsg[500];
private:

  double pos[3]; //the position vector
  short int have_position; // boolean for positions
  double ornt[3]; // the orientation vector
  short int have_orientation;

  char name[100];
  int n_atoms;
  
  int have_name, have_atoms;

  AtomStamp** atoms;

  LinkedAssign* unhandled; // the unhandled assignments
  short int have_extras;
};

#endif
Revision:	957
Committed:	Mon Jan 19 16:08:21 2004 UTC (20 years, 6 months ago) by gezelter
File size:	1551 byte(s)
Log Message:	BASS changes to add RigidBodies and LJrcut
#	User	Rev	Content
1	gezelter	957	#ifndef __RIGIDBODYSTAMP_H__
2			#define __RIGIDBODYSTAMP_H__
3
4			#include "AtomStamp.hpp"
5			#include "LinkedAssign.hpp"
6
7			class RigidBodyStamp{
8
9			public:
10			RigidBodyStamp();
11			~RigidBodyStamp();
12
13			void setPosition( double x, double y, double z );
14			void setOrientation( double x, double y, double z );
15			char* assignString( char* lhs, char* rhs );
16			char* assignDouble( char* lhs, double rhs );
17			char* assignInt( char* lhs, int rhs );
18			char* checkMe( void );
19
20			char* addAtom( AtomStamp* the_atom, int atomIndex );
21
22			char* getID( void ) { return name; }
23			int getNAtoms( void ) { return n_atoms; }
24			short int havePosition( void ) { return have_position; }
25			short int haveOrientation( void ) { return have_orientation; }
26			double getPosX( void ) { return pos[0]; }
27			double getPosY( void ) { return pos[1]; }
28			double getPosZ( void ) { return pos[2]; }
29			double getOrntX( void ) { return ornt[0]; }
30			double getOrntY( void ) { return ornt[1]; }
31			double getOrntZ( void ) { return ornt[2]; }
32
33			AtomStamp* getAtom( int index ) { return atoms[index]; }
34
35			int haveExtras( void ) { return have_extras; }
36			LinkedAssign* getUnhandled( void ) { return unhandled; }
37
38			static char errMsg[500];
39			private:
40
41			double pos[3]; //the position vector
42			short int have_position; // boolean for positions
43			double ornt[3]; // the orientation vector
44			short int have_orientation;
45
46			char name[100];
47			int n_atoms;
48
49			int have_name, have_atoms;
50
51			AtomStamp** atoms;
52
53			LinkedAssign* unhandled; // the unhandled assignments
54			short int have_extras;
55			};
56
57			#endif