#ifndef __MOREEXTRAATOMRECORD_H__
#define __MOREEXTRAATOMRECORD_H__

# include "util.h"
# include "pdb.h"           /* Look here for Cube, AtomList defs */
# include "fit.h"

#ifdef __cplusplus
extern "C" {
#endif

#define NUMBER_OBJECTS_LARGE_EXTRA_ATOM_RECORD 20

#define WRITE_EXTRA_ATOM_RECORD_HDR "\
# A  XXX   NNN   ||     0        1        2        3\
        4        5        6        7        8        9\n"

#define SAMPLE_COL_DESCRIBE_STRING "\
@ COL_V_VAL    0  \n\
@ COL_V_AVG    1  \n\
@ COL_V_NUM    2  \n\
@ COL_V_DEV    3  \n\
@ COL_F_123    4  \n\
@ COL_F_FSV    5  \n\
@ COL_F_GXG    6  \n\
@ COL_F_ASA    7  \n\
@ COL_F_FSA    8  \n\
@ COL_F_FSD    9  \n\
"


typedef struct {
  int ii ;
  double tmp ;
  double d[NUMBER_OBJECTS_LARGE_EXTRA_ATOM_RECORD] ;
  char * s[NUMBER_OBJECTS_LARGE_EXTRA_ATOM_RECORD] ;
} LargeExtraAtomRecord ;

void WriteLargeExtraAtomRecords
  (FILE * stream, file_records * f, LargeExtraAtomRecord ** E, int n, int format, char c);

void AbsB(file_records * f)
;
void RadiiToB(file_records * f)
;
void CovVDWRadiiToOccB(file_records * f)
;
void WriteExtraAtomRecords 
(FILE * stream, file_records * f, ExtraAtomRecord ** E, int n, int format)
;
void WriteExtraAtomRecord
(FILE * stream, atom_record * a, ExtraAtomRecord * e, int n, int format)
;
void SubtractAtomVects_1eq2Minus3
  (ExtraAtomRecord ** A0, char * A0Rx,
   ExtraAtomRecord ** B0, char * B0Ry,
   ExtraAtomRecord ** C0, char * C0Rz,
   int n)
;

#   define SUBTRACT_ATOM_VECTS_1EQ2MINUS3(A,x,B,y,C,z,n) \
    SubtractAtomVects_1eq2Minus3( \
		      (ExtraAtomRecord **) &A[0], (char *) &A[0]->x, \
		      (ExtraAtomRecord **) &B[0], (char *) &B[0]->y, \
		      (ExtraAtomRecord **) &C[0], (char *) &C[0]->z, n) 

void DivideAtomVects_1eq2Div3
  (ExtraAtomRecord ** A0, char * A0Rx,
   ExtraAtomRecord ** B0, char * B0Ry,
   ExtraAtomRecord ** C0, char * C0Rz,
   int n)
;

#   define DIVIDE_ATOM_VECTS_1EQ2DIV3(A,x,B,y,C,z,n) \
    DivideAtomVects_1eq2Div3( \
		      (ExtraAtomRecord **) &A[0], (char *) &A[0]->x, \
		      (ExtraAtomRecord **) &B[0], (char *) &B[0]->y, \
		      (ExtraAtomRecord **) &C[0], (char *) &C[0]->z, n) 


void MultiplyAtomVects_1eq2times3
  (ExtraAtomRecord ** A0, char * A0Rx,
   ExtraAtomRecord ** B0, char * B0Ry,
   ExtraAtomRecord ** C0, char * C0Rz,
   int n)
;

#   define MULTIPLY_ATOM_VECTS_1EQ2TIMES3(A,x,B,y,C,z,n) \
    MultiplyAtomVects_1eq2times3( \
		      (ExtraAtomRecord **) &A[0], (char *) &A[0]->x, \
		      (ExtraAtomRecord **) &B[0], (char *) &B[0]->y, \
		      (ExtraAtomRecord **) &C[0], (char *) &C[0]->z, n) 


void ScalarToAtomVects
  (ExtraAtomRecord ** A0, char * A0Rx, int n, double t)
;
#   define SCALAR_TO_ATOM_VECTS(B,y,n,t) \
  ScalarToAtomVects((ExtraAtomRecord **) &B[0], (char *) &B[0]->y, n, t)

void DefaultInitExtraAtomRecordsToScalar
(ExtraAtomRecord ** e, int rows, double val)
;

#ifdef __cplusplus
}
#endif
#endif /* !__MOREEXTRAATOMRECORD_H__ */