/* 
	Header file for access
*/

#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include <math.h>

//#define MAX_NAME_LEN	10
//#define	MAX_LINE_LEN	512
//#define MAX_RES_NUM	20000

//#define MAX_FNAME_LEN	512


#define PI              M_PI  // from math.h     
#define PIX2            M_PI * 2.0

#define MAX_ATOMS             64001     // L: maximum number of atoms
#define MAX_CUBES             1000001   // M: maximum number of cubes
#define MAX_ATOMS_IN_A_CUBE   4001      // N(NAC): maximum number of atoms in a cube
#define ICT_MAX               2001      // ICT: maximum number of circle intersections or neighboring spheres
#define MAX_INDEX_PDB         64001

// ASA options
#define FRAC_ERROR      0.05   // P
#define IACC            1      // ACCESS FLAG 0: access area,  1: contact area
#define PROBE_RADIUS    1.4    // RH2O

#define FILE_FLAG       "-f"
#define RESULT_FLAG     "-o"


/*
struct atomASARec {
	int	lineIndex;
	char	atomName[MAX_NAME_LEN];
	char	resName[MAX_NAME_LEN];
	int 	resNum;
	float	x, y, z;
	float 	rad; // radii
        float   contactArea, accessArea; 
};

typedef struct atomASARec ATOM_ASA_REC;
*/


void calc_access(ATOM_REC *, int);
int save_access_result(ATOM_REC *, char *, int);
