mgparm.h

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#ifndef _MGPARM_H_
#define _MGPARM_H_

#include "maloc/maloc.h"
#include "apbs/vhal.h"

enum eMGparm_CalcType {
    MCT_MAN=0,  
    MCT_AUT=1,  
    MCT_PAR=2,  
    MCT_DUM=3  
};

typedef enum eMGparm_CalcType MGparm_CalcType;

enum eMGparm_CentMeth {
    MCM_PNT=0, 
    MCM_MOL=1  
};

typedef enum eMGparm_CentMeth MGparm_CentMeth;
struct sMGparm {

    MGparm_CalcType type;  
    int parsed;  
    /* *** GENERIC PARAMETERS *** */
    int dime[3];  
    int setdime;  
    Vchrg_Meth chgm;  
    int setchgm;  
    /* *** TYPE 0 PARAMETERS (SEQUENTIAL MANUAL) *** */
    int nlev;  
    int setnlev;  
    double grid[3];  
    int setgrid;  
    double glen[3];  
    int setglen;  
    MGparm_CentMeth cmeth;  
    double center[3];  
    int centmol;  
    int setgcent;  
    /* ******** TYPE 1 & 2 PARAMETERS (SEQUENTIAL & PARALLEL AUTO-FOCUS) *** */
    double cglen[3];  
    int setcglen;  
    double fglen[3];  
    int setfglen;  
    MGparm_CentMeth ccmeth;  
    double ccenter[3];  
    int ccentmol;  
    int setcgcent;  
    MGparm_CentMeth fcmeth;  
    double fcenter[3];  
    int fcentmol;  
    int setfgcent;  
    /* ********* TYPE 2 PARAMETERS (PARALLEL AUTO-FOCUS) ******** */
    double partDisjCenterShift[3];  
    double partDisjLength[3];  
    int partDisjOwnSide[6];  
    double partOlapCenterShift[3];  
    double partOlapLength[3];  
    int pdime[3];  
    int setpdime;  
    int proc_rank;  
    int setrank;  
    int proc_size;  
    int setsize;  
    double ofrac;  
    int setofrac;  
    int async; 
    int setasync; 
};

typedef struct sMGparm MGparm;

int MGparm_getNx(MGparm *thee);

int MGparm_getNy(MGparm *thee);

int MGparm_getNz(MGparm *thee);

double MGparm_getHx(MGparm *thee);

double MGparm_getHy(MGparm *thee);

double MGparm_getHz(MGparm *thee);

void MGparm_setCenterX(MGparm *thee, double x);

void MGparm_setCenterY(MGparm *thee, double y);

void MGparm_setCenterZ(MGparm *thee, double z);

double MGparm_getCenterX(MGparm *thee);

double MGparm_getCenterY(MGparm *thee);

double MGparm_getCenterZ(MGparm *thee);

double MGparm_getPartOlapCenterShiftX(MGparm *thee);

double MGparm_getPartOlapCenterShiftY(MGparm *thee);

double MGparm_getPartOlapCenterShiftZ(MGparm *thee);

MGparm*  MGparm_ctor(MGparm_CalcType type);

int      MGparm_ctor2(MGparm *thee, MGparm_CalcType type);

void     MGparm_dtor(MGparm **thee);

void     MGparm_dtor2(MGparm *thee);

int      MGparm_check(MGparm *thee);

void     MGparm_copy(MGparm *thee, MGparm *parm);

int      MGparm_parseToken(MGparm *thee, char tok[VMAX_BUFSIZE], 
                    Vio *sock);

#endif 

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