13 |
|
MoleculeStamp(); |
14 |
|
~MoleculeStamp(); |
15 |
|
|
16 |
< |
void assignString( char* lhs, char* rhs ); |
17 |
< |
void assignDouble( char* lhs, double rhs ); |
18 |
< |
void assignInt( char* lhs, int rhs ); |
16 |
> |
char* assignString( char* lhs, char* rhs ); |
17 |
> |
char* assignDouble( char* lhs, double rhs ); |
18 |
> |
char* assignInt( char* lhs, int rhs ) |
19 |
|
char* checkMe( void ); |
20 |
|
|
21 |
|
char* addAtom( AtomStamp* the_atom, int atomIndex ); |
34 |
|
BendStamp* getBend( int index ) { return bends[index]; } |
35 |
|
TorsionStamp* getTorsion( int index ) { return torsions[index]; } |
36 |
|
|
37 |
+ |
static char errMsg[500]; |
38 |
|
private: |
39 |
< |
|
39 |
> |
|
40 |
> |
|
41 |
|
char name[100]; |
42 |
|
int n_atoms; |
43 |
|
int n_bonds; |