--- trunk/xyz2pov/src/pov_writer.h 2002/08/01 21:12:33 61 +++ trunk/xyz2pov/src/pov_writer.h 2003/11/18 17:04:25 864 @@ -5,12 +5,23 @@ struct coords{ double x; double y; double z; + int hasCharge; + double charge; + int hasVector; + double ux; + double uy; + double uz; char name[30]; }; extern void pov_write(FILE *out_file, struct coords *the_coords, int n_atoms, - int d_hydrogens, int d_bonds, int d_atoms); + int d_hydrogens, int d_bonds, int d_atoms, + int d_vectors); extern void make_header_macros(FILE *out_file); +extern int regenerateBonds; + +extern void initBondList( void ); + #endif