OOPSE/libBASS/MakeStamps.hpp

#ifndef __MAKESTAMPS_H__
#define __MAKESTAMPS_H__

#include <stdlib.h>
#include <string.h>

#include "BASS_interface.h"
#include "MoleculeStamp.hpp"
#include "AtomStamp.hpp"
#include "BondStamp.hpp"
#include "BendStamp.hpp"
#include "TorsionStamp.hpp"
#include "RigidBodyStamp.hpp"

class LinkedMolStamp{

public:
  LinkedMolStamp(){ mol_stamp = NULL; next = NULL; prev = NULL; }
  ~LinkedMolStamp();
  
  MoleculeStamp* match( char* id );
  LinkedMolStamp* extract( char* id );
  void setStamp( MoleculeStamp* the_stamp ){ mol_stamp = the_stamp; }
  MoleculeStamp* getStamp(){ return mol_stamp; }
  void add( LinkedMolStamp* newbie );
  void setPrev( LinkedMolStamp* thePrev ){ prev = thePrev; }
  void setNext( LinkedMolStamp* theNext ){ next = theNext; }
  LinkedMolStamp* getNext() { return next; }
  
private:
  MoleculeStamp* mol_stamp;
  LinkedMolStamp* next;
  LinkedMolStamp* prev;
};

class MakeStamps{

public:
  MakeStamps();
  ~MakeStamps();

  int newMolecule( event* the_event );
  int moleculeAssign( event* the_event );
  int moleculeEnd( event* the_event );

  int newAtom( event* the_event );
  int atomPosition( event* the_event );
  int atomOrientation( event* the_event );
  int atomAssign( event* the_event );
  int atomEnd( event* the_event );

  int newRigidBody( event* the_event );
  int rigidBodyAssign( event* the_event );
  int rigidBodyMembers( event* the_event );
  int rigidBodyEnd( event* the_event );

  int newBond( event* the_event );
  int bondAssign( event* the_event );
  int bondMembers( event* the_event );
  int bondConstraint( event* the_event );
  int bondEnd( event* the_event );
  
  int newBend( event* the_event );
  int bendAssign( event* the_event );
  int bendMembers( event* the_event );
  int bendConstraint( event* the_event );
  int bendEnd( event* the_event );

  int newTorsion( event* the_event );
  int torsionAssign( event* the_event );
  int torsionMembers( event* the_event );
  int torsionConstraint( event* the_event );
  int torsionEnd( event* the_event );

  LinkedMolStamp* extractMolStamp( char* the_id );

private:

  int hash_size;
  int hash_shift;
  int hash( char* text );
  LinkedMolStamp** my_mols;
  void addMolStamp( MoleculeStamp* the_stamp );

  MoleculeStamp* current_mol;
  AtomStamp* current_atom;
  BondStamp* current_bond;
  BendStamp* current_bend;
  TorsionStamp* current_torsion;
  RigidBodyStamp* current_rigidbody;

};


#endif
Revision:	998
Committed:	Thu Jan 29 23:01:17 2004 UTC (20 years, 7 months ago) by gezelter
File size:	2420 byte(s)
Log Message:	member list fixes for rigid bodies
#	User	Rev	Content
1	mmeineke	377	#ifndef __MAKESTAMPS_H__
2			#define __MAKESTAMPS_H__
3
4	gezelter	828	#include <stdlib.h>
5			#include <string.h>
6	mmeineke	377
7			#include "BASS_interface.h"
8			#include "MoleculeStamp.hpp"
9			#include "AtomStamp.hpp"
10			#include "BondStamp.hpp"
11			#include "BendStamp.hpp"
12			#include "TorsionStamp.hpp"
13	gezelter	957	#include "RigidBodyStamp.hpp"
14	mmeineke	377
15			class LinkedMolStamp{
16
17			public:
18			LinkedMolStamp(){ mol_stamp = NULL; next = NULL; prev = NULL; }
19			~LinkedMolStamp();
20
21			MoleculeStamp* match( char* id );
22			LinkedMolStamp* extract( char* id );
23			void setStamp( MoleculeStamp* the_stamp ){ mol_stamp = the_stamp; }
24			MoleculeStamp* getStamp(){ return mol_stamp; }
25			void add( LinkedMolStamp* newbie );
26			void setPrev( LinkedMolStamp* thePrev ){ prev = thePrev; }
27			void setNext( LinkedMolStamp* theNext ){ next = theNext; }
28			LinkedMolStamp* getNext() { return next; }
29
30			private:
31			MoleculeStamp* mol_stamp;
32			LinkedMolStamp* next;
33			LinkedMolStamp* prev;
34			};
35
36			class MakeStamps{
37
38			public:
39			MakeStamps();
40			~MakeStamps();
41
42			int newMolecule( event* the_event );
43			int moleculeAssign( event* the_event );
44			int moleculeEnd( event* the_event );
45
46	gezelter	988	int newAtom( event* the_event );
47	mmeineke	377	int atomPosition( event* the_event );
48			int atomOrientation( event* the_event );
49			int atomAssign( event* the_event );
50			int atomEnd( event* the_event );
51
52	gezelter	957	int newRigidBody( event* the_event );
53			int rigidBodyAssign( event* the_event );
54	gezelter	998	int rigidBodyMembers( event* the_event );
55	gezelter	957	int rigidBodyEnd( event* the_event );
56
57	mmeineke	377	int newBond( event* the_event );
58			int bondAssign( event* the_event );
59	gezelter	988	int bondMembers( event* the_event );
60	mmeineke	377	int bondConstraint( event* the_event );
61			int bondEnd( event* the_event );
62
63			int newBend( event* the_event );
64			int bendAssign( event* the_event );
65	gezelter	988	int bendMembers( event* the_event );
66	mmeineke	377	int bendConstraint( event* the_event );
67			int bendEnd( event* the_event );
68
69			int newTorsion( event* the_event );
70			int torsionAssign( event* the_event );
71	gezelter	988	int torsionMembers( event* the_event );
72	mmeineke	377	int torsionConstraint( event* the_event );
73			int torsionEnd( event* the_event );
74
75			LinkedMolStamp* extractMolStamp( char* the_id );
76
77			private:
78
79	gezelter	747	int hash_size;
80			int hash_shift;
81	mmeineke	377	int hash( char* text );
82			LinkedMolStamp** my_mols;
83			void addMolStamp( MoleculeStamp* the_stamp );
84
85			MoleculeStamp* current_mol;
86			AtomStamp* current_atom;
87			BondStamp* current_bond;
88			BendStamp* current_bend;
89			TorsionStamp* current_torsion;
90	gezelter	957	RigidBodyStamp* current_rigidbody;
91	mmeineke	377
92			};
93
94
95
96
97			#endif