| 22 |
|
|
| 23 |
|
void clean_bonds(void); |
| 24 |
|
|
| 25 |
+ |
void initBondList(void){ |
| 26 |
+ |
bl_head = NULL; |
| 27 |
+ |
} |
| 28 |
|
|
| 29 |
|
void pov_write(FILE *out_file, struct coords *the_coords, int n_atoms, |
| 30 |
|
int d_hydrogens, int d_bonds, int d_atoms){ |
| 82 |
|
"\n" |
| 83 |
|
"\n"); |
| 84 |
|
|
| 85 |
< |
make_bonds(the_coords, n_atoms); |
| 85 |
> |
if( bl_head == NULL ) make_bonds(the_coords, n_atoms); |
| 86 |
|
|
| 87 |
|
current_bond = bl_head->next; |
| 88 |
|
|
| 133 |
|
current_bond = current_bond->next; |
| 134 |
|
} |
| 135 |
|
|
| 136 |
< |
clean_bonds(); |
| 136 |
> |
if( regenerateBonds )clean_bonds(); |
| 137 |
|
} |
| 138 |
|
} |
| 139 |
|
|
| 212 |
|
} |
| 213 |
|
|
| 214 |
|
bl_head->next = NULL; |
| 215 |
+ |
free( bl_head ); |
| 216 |
+ |
bl_head = NULL; |
| 217 |
|
} |
| 218 |
|
|
| 219 |
|
|