xyz2pov/src/pov_writer.h

#ifndef _POV_WRITER_
#define _POV_WRITER_

struct coords{
  double x;
  double y;
  double z;
  int hasCharge;
  double charge;
  int hasVector;
  int hasSecondVector;
  double ux;
  double uy;
  double uz;
  double vx;
  double vy;
  double vz;
  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_vectors);

extern void make_header_macros(FILE *out_file);

extern int regenerateBonds;

extern void initBondList( void );

#endif
Revision:	2750
Committed:	Fri May 12 19:24:30 2006 UTC (18 years, 11 months ago) by tim
Content type:	text/plain
File size:	557 byte(s)
Log Message:	adding support for Gay-Berne atom
#	User	Rev	Content
1	mmeineke	60	#ifndef _POV_WRITER_
2			#define _POV_WRITER_
3
4			struct coords{
5			double x;
6			double y;
7			double z;
8	gezelter	864	int hasCharge;
9			double charge;
10			int hasVector;
11	tim	2750	int hasSecondVector;
12	gezelter	864	double ux;
13			double uy;
14			double uz;
15	tim	2750	double vx;
16			double vy;
17			double vz;
18	mmeineke	60	char name[30];
19			};
20
21			extern void pov_write(FILE out_file, struct coords the_coords, int n_atoms,
22	gezelter	864	int d_hydrogens, int d_bonds, int d_atoms,
23			int d_vectors);
24	mmeineke	60
25			extern void make_header_macros(FILE *out_file);
26
27	mmeineke	508	extern int regenerateBonds;
28
29			extern void initBondList( void );
30
31	mmeineke	60	#endif