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root/group/trunk/OOPSE/libBASS/MakeStamps.hpp
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Comparing:
branches/mmeineke/OOPSE/libBASS/MakeStamps.hpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libBASS/MakeStamps.hpp (file contents), Revision 993 by gezelter, Tue Jan 27 20:34:11 2004 UTC

# Line 1 | Line 1
1   #ifndef __MAKESTAMPS_H__
2   #define __MAKESTAMPS_H__
3  
4 < #include <cstdlib>
5 < #include <cstring>
4 > #include <stdlib.h>
5 > #include <string.h>
6  
7   #include "BASS_interface.h"
8   #include "MoleculeStamp.hpp"
# Line 10 | Line 10
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  
# Line 48 | Line 50 | class MakeStamps{ (public)
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 rigidBodyEnd( event* the_event );
56 +
57    int newBond( event* the_event );
58    int bondAssign( event* the_event );
59 <  int bondMember( event* the_event );
59 >  int bondMembers( event* the_event );
60    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 <  int bendMember( event* the_event );
65 >  int bendMembers( event* the_event );
66    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 <  int torsionMember( event* the_event );
71 >  int torsionMembers( event* the_event );
72    int torsionConstraint( event* the_event );
73    int torsionEnd( event* the_event );
74  
75 +  int newMember( event* the_event );
76 +  int memberAssign( event* the_event );
77 +  int memberEnd( event* the_event );
78 +
79    LinkedMolStamp* extractMolStamp( char* the_id );
80  
81   private:
82  
83 <  static const int hash_size = 51;
84 <  static const int hash_shift = 4;
83 >  int hash_size;
84 >  int hash_shift;
85    int hash( char* text );
86    LinkedMolStamp** my_mols;
87    void addMolStamp( MoleculeStamp* the_stamp );
# Line 81 | Line 91 | class MakeStamps{ (public)
91    BondStamp* current_bond;
92    BendStamp* current_bend;
93    TorsionStamp* current_torsion;
94 +  RigidBodyStamp* current_rigidbody;
95 +  MemberStamp* current_member;
96  
85 –  
86 –  
87 –  
88 –
97   };
98  
99  

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