| 45 |
|
void get_tag(char *,char *); |
| 46 |
|
static void mopaco(int start_atom,int end_atom); |
| 47 |
|
void get_molecule_memory(int); |
| 48 |
< |
void get_rings(int natom,int (*)[MAXIAT],long int *flags); |
| 48 |
> |
void get_rings(int natom,int **iat,long int *flags); |
| 49 |
|
double get_dipole_moment(void); |
| 50 |
|
double get_total_energy(void); |
| 51 |
|
char *get_structure_title(void); |
| 227 |
|
if (niatom == 0) |
| 228 |
|
return FALSE; |
| 229 |
|
// get memory for molecule |
| 230 |
< |
// get_molecule_memory(niatom); |
| 230 |
> |
get_molecule_memory(niatom); |
| 231 |
|
// allocate space for aromatic bonds |
| 232 |
|
numbonds = 0; |
| 233 |
|
ib1 = ivector(0,nibond); |
