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 |