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 "MemberStamp.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 rigidBodyMember( 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 );

  int newMember( event* the_event );
  int memberAssign( event* the_event );
  int memberEnd( 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;
  MemberStamp* current_member;

};


#endif
Revision:	988
Committed:	Tue Jan 27 19:37:48 2004 UTC (20 years, 5 months ago) by gezelter
File size:	2592 byte(s)
Log Message:	More BASS changes to do new rigidBody scheme
#	Content
1	#ifndef __MAKESTAMPS_H__
2	#define __MAKESTAMPS_H__
3
4	#include <stdlib.h>
5	#include <string.h>
6
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	#include "MemberStamp.hpp"
14	#include "RigidBodyStamp.hpp"
15
16	class LinkedMolStamp{
17
18	public:
19	LinkedMolStamp(){ mol_stamp = NULL; next = NULL; prev = NULL; }
20	~LinkedMolStamp();
21
22	MoleculeStamp* match( char* id );
23	LinkedMolStamp* extract( char* id );
24	void setStamp( MoleculeStamp* the_stamp ){ mol_stamp = the_stamp; }
25	MoleculeStamp* getStamp(){ return mol_stamp; }
26	void add( LinkedMolStamp* newbie );
27	void setPrev( LinkedMolStamp* thePrev ){ prev = thePrev; }
28	void setNext( LinkedMolStamp* theNext ){ next = theNext; }
29	LinkedMolStamp* getNext() { return next; }
30
31	private:
32	MoleculeStamp* mol_stamp;
33	LinkedMolStamp* next;
34	LinkedMolStamp* prev;
35	};
36
37	class MakeStamps{
38
39	public:
40	MakeStamps();
41	~MakeStamps();
42
43	int newMolecule( event* the_event );
44	int moleculeAssign( event* the_event );
45	int moleculeEnd( event* the_event );
46
47	int newAtom( event* the_event );
48	int atomPosition( event* the_event );
49	int atomOrientation( event* the_event );
50	int atomAssign( event* the_event );
51	int atomEnd( event* the_event );
52
53	int newRigidBody( event* the_event );
54	int rigidBodyAssign( event* the_event );
55	int rigidBodyMember( event* the_event );
56	int rigidBodyEnd( event* the_event );
57
58	int newBond( event* the_event );
59	int bondAssign( event* the_event );
60	int bondMembers( event* the_event );
61	int bondConstraint( event* the_event );
62	int bondEnd( event* the_event );
63
64	int newBend( event* the_event );
65	int bendAssign( event* the_event );
66	int bendMembers( event* the_event );
67	int bendConstraint( event* the_event );
68	int bendEnd( event* the_event );
69
70	int newTorsion( event* the_event );
71	int torsionAssign( event* the_event );
72	int torsionMembers( event* the_event );
73	int torsionConstraint( event* the_event );
74	int torsionEnd( event* the_event );
75
76	int newMember( event* the_event );
77	int memberAssign( event* the_event );
78	int memberEnd( event* the_event );
79
80	LinkedMolStamp* extractMolStamp( char* the_id );
81
82	private:
83
84	int hash_size;
85	int hash_shift;
86	int hash( char* text );
87	LinkedMolStamp** my_mols;
88	void addMolStamp( MoleculeStamp* the_stamp );
89
90	MoleculeStamp* current_mol;
91	AtomStamp* current_atom;
92	BondStamp* current_bond;
93	BendStamp* current_bend;
94	TorsionStamp* current_torsion;
95	RigidBodyStamp* current_rigidbody;
96	MemberStamp* current_member;
97
98	};
99
100
101
102
103	#endif