14 |
|
class LinkedMolStamp{ |
15 |
|
|
16 |
|
public: |
17 |
< |
LinkedMolStamp(){ mol_stamp = NULL; next = NULL; } |
17 |
> |
LinkedMolStamp(){ mol_stamp = NULL; next = NULL; prev = NULL; } |
18 |
|
~LinkedMolStamp(); |
19 |
|
|
20 |
|
MoleculeStamp* match( char* id ); |
21 |
+ |
LinkedMolStamp* extract( char* id ); |
22 |
|
void setStamp( MoleculeStamp* the_stamp ){ mol_stamp = the_stamp; } |
23 |
|
MoleculeStamp* getStamp(){ return mol_stamp; } |
24 |
< |
void setNext( LinkedMolStamp* the_next ){ next = the_next; } |
24 |
> |
void add( LinkedMolStamp* newbie ); |
25 |
> |
void setPrev( LinkedMolStamp* thePrev ){ prev = thePrev; } |
26 |
> |
void setNext( LinkedMolStamp* theNext ){ next = theNext; } |
27 |
|
LinkedMolStamp* getNext() { return next; } |
28 |
|
|
29 |
|
private: |
30 |
|
MoleculeStamp* mol_stamp; |
31 |
|
LinkedMolStamp* next; |
32 |
+ |
LinkedMolStamp* prev; |
33 |
|
}; |
34 |
|
|
35 |
|
class MakeStamps{ |
66 |
|
int torsionConstraint( event* the_event ); |
67 |
|
int torsionEnd( event* the_event ); |
68 |
|
|
69 |
< |
MoleculeStamp* getMolecule( char* the_id ); |
69 |
> |
LinkedMolStamp* extractMolStamp( char* the_id ); |
70 |
|
|
71 |
|
private: |
72 |
|
|