vhal.h

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#ifndef _VAPBSHAL_H_
#define _VAPBSHAL_H_

enum eVsurf_Meth {
        VSM_MOL=0, 
    VSM_MOLSMOOTH=1, 
        VSM_SPLINE=2     
};

typedef enum eVsurf_Meth Vsurf_Meth;

enum eVhal_PBEType {
    PBE_LPBE,  
    PBE_NPBE,  
    PBE_LRPBE,  
    PBE_NRPBE  
};

typedef enum eVhal_PBEType Vhal_PBEType;


enum eVbcfl {
    BCFL_ZERO=0,  
    BCFL_SDH=1,  
    BCFL_MDH=2,  
    BCFL_UNUSED=3,  
    BCFL_FOCUS=4  
};

typedef enum eVbcfl Vbcfl;

enum eVchrg_Meth {
        VCM_TRIL=0,  
    VCM_BSPL2=1  
};

typedef enum eVchrg_Meth Vchrg_Meth;


enum eVdata_Type {
    VDT_CHARGE, 
    VDT_POT,    
    VDT_SMOL,   
    VDT_SSPL,   
    VDT_VDW,    
    VDT_IVDW,   
    VDT_LAP,    
    VDT_EDENS,  
    VDT_NDENS,  
    VDT_QDENS,  
    VDT_DIELX,  
    VDT_DIELY,  
    VDT_DIELZ,  
    VDT_KAPPA   
};

typedef enum eVdata_Type Vdata_Type;

enum eVdata_Format {
    VDF_DX=0,  
    VDF_UHBD=1, 
    VDF_AVS=2  
};

typedef enum eVdata_Format Vdata_Format;

#define APBS_TIMER_WALL_CLOCK 26

#define APBS_TIMER_SETUP 27

#define APBS_TIMER_SOLVER 28

#define APBS_TIMER_ENERGY 29

#define APBS_TIMER_FORCE 30

#define APBS_TIMER_TEMP1 31

#define APBS_TIMER_TEMP2 32

#define MAXMOL 5

#define MAXION 10

#define MAXFOCUS 5

#define VMGNLEV 4

#define VREDFRAC 0.25

#define VAPBS_NVS 4

#define VAPBS_DIM 3

#define VAPBS_RIGHT 0

#define VAPBS_FRONT 1

#define VAPBS_UP    2

#define VAPBS_LEFT  3

#define VAPBS_BACK  4

#define VAPBS_DOWN  5

#define VPMGSMALL 1e-12


#if defined(VDEBUG)
#   if !defined(APBS_NOINLINE)
#       define APBS_NOINLINE 1
#   endif
#endif

#if !defined(APBS_NOINLINE)

#   define VINLINE_VACC

#   define VINLINE_VATOM

#   define VINLINE_VCSM

#   define VINLINE_VPBE

#   define VINLINE_VPEE

#   define VINLINE_VGREEN

#   define VINLINE_VFETK

#   define VINLINE_VPMG 

#   define MAX_HASH_DIM 75

#endif

/* Fortran name mangling */
#if defined(VF77_UPPERCASE)
#   if defined(VF77_NOUNDERSCORE)
#       define VF77_MANGLE(name,NAME) NAME
#   elif defined(VF77_ONEUNDERSCORE)
#       define VF77_MANGLE(name,NAME) NAME ## _
#   else
#       define VF77_MANGLE(name,NAME) name
#   endif
#else
#   if defined(VF77_NOUNDERSCORE)
#       define VF77_MANGLE(name,NAME) name
#   elif defined(VF77_ONEUNDERSCORE)
#       define VF77_MANGLE(name,NAME) name ## _
#   else

#       define VF77_MANGLE(name,NAME) name
#   endif
#endif

/* Floating Point Error */
#if defined(MACHINE_EPS)
#     define VFLOOR(value) \
              ((floor(value) != floor(value + MACHINE_EPS)) ? \
              floor(value + MACHINE_EPS) : floor(value))
#else

#     define VFLOOR(value) floor(value)
#endif

/* String embedding for ident */
#if defined(HAVE_EMBED)

#    define VEMBED(rctag) \
         VPRIVATE const char* rctag; \
         static void* use_rcsid=(0 ? &use_rcsid : (void**)&rcsid);
#else

#    define VEMBED(rctag)
#endif /* if defined(HAVE_EMBED) */

#endif /* #ifndef _VAPBSHAL_H_ */

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