| 13 |
|
MoleculeStamp(); |
| 14 |
|
~MoleculeStamp(); |
| 15 |
|
|
| 16 |
< |
int assignString( char* lhs, char* rhs ); |
| 17 |
< |
int assignDouble( char* lhs, double rhs ); |
| 18 |
< |
int 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 ); |
| 35 |
|
TorsionStamp* getTorsion( int index ) { return torsions[index]; } |
| 36 |
|
|
| 37 |
|
private: |
| 38 |
< |
|
| 38 |
> |
|
| 39 |
> |
static char errMsg[500]; |
| 40 |
|
char name[100]; |
| 41 |
|
int n_atoms; |
| 42 |
|
int n_bonds; |