xyz2pov/src/atom_parser.h

#ifndef _ATOM_PARSER_
#define _ATOM_PARSER_

struct atom {
  char name[30];
  double vanDerWallRadii;
  double covalentRadii;
  int red;
  int green;
  int blue;
};

struct linked_atom {
  struct atom myAtom;
  struct linked_atom *next;
};


extern void initializeParser(void);

extern void update_types(char *);

extern struct linked_atom *get_type_list(void);

extern void clean_type_list(void);

extern int findAtomType(char *, struct atom *);
     
extern int get_n_inUse(void);


#endif
Revision:	60
Committed:	Thu Aug 1 21:12:33 2002 UTC (23 years, 3 months ago) by mmeineke
Content type:	text/plain
Original Path:	*branches/mmeineke/xyz2pov/src/atom_parser.h*
File size:	492 byte(s)
Log Message:	A pair of utilities to turn an xyz file into a sequence of povray rendered images.
#	Content
1	#ifndef _ATOM_PARSER_
2	#define _ATOM_PARSER_
3
4	struct atom {
5	char name[30];
6	double vanDerWallRadii;
7	double covalentRadii;
8	int red;
9	int green;
10	int blue;
11	};
12
13	struct linked_atom {
14	struct atom myAtom;
15	struct linked_atom *next;
16	};
17
18
19	extern void initializeParser(void);
20
21	extern void update_types(char *);
22
23	extern struct linked_atom *get_type_list(void);
24
25	extern void clean_type_list(void);
26
27	extern int findAtomType(char , struct atom );
28
29	extern int get_n_inUse(void);
30
31
32	#endif