| 5 |
|
double x; |
| 6 |
|
double y; |
| 7 |
|
double z; |
| 8 |
+ |
int hasCharge; |
| 9 |
+ |
double charge; |
| 10 |
+ |
int hasVector; |
| 11 |
+ |
double ux; |
| 12 |
+ |
double uy; |
| 13 |
+ |
double uz; |
| 14 |
|
char name[30]; |
| 15 |
|
}; |
| 16 |
|
|
| 17 |
|
extern void pov_write(FILE *out_file, struct coords *the_coords, int n_atoms, |
| 18 |
< |
int d_hydrogens, int d_bonds, int d_atoms); |
| 18 |
> |
int d_hydrogens, int d_bonds, int d_atoms, |
| 19 |
> |
int d_vectors); |
| 20 |
|
|
| 21 |
|
extern void make_header_macros(FILE *out_file); |
| 22 |
|
|
| 23 |
+ |
extern int regenerateBonds; |
| 24 |
+ |
|
| 25 |
+ |
extern void initBondList( void ); |
| 26 |
+ |
|
| 27 |
|
#endif |