vparam.h

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#ifndef _VPARAM_H_
#define _VPARAM_H_

/* Generic headers */
#include "maloc/maloc.h"
#include "apbs/vhal.h"
#include "apbs/vunit.h"
#include "apbs/vstring.h"

struct sVparam_AtomData {
    char atomName[VMAX_ARGLEN];  
    char resName[VMAX_ARGLEN];  
    double charge;  
    double radius;  
    double epsilon;  
};

typedef struct sVparam_AtomData Vparam_AtomData;

struct Vparam_ResData {
    Vmem *vmem;  
    char name[VMAX_ARGLEN]; 
    int nAtomData;  
    Vparam_AtomData *atomData;  
};

typedef struct Vparam_ResData Vparam_ResData;

struct Vparam {

  Vmem *vmem;  
  int nResData;  
  Vparam_ResData *resData;  
};

typedef struct Vparam Vparam;

/* ///////////////////////////////////////////////////////////////////////////
// Class Vparam: Inlineable methods (vparam.c)

#if !defined(VINLINE_VPARAM)

    unsigned long int Vparam_memChk(Vparam *thee);

#else /* if defined(VINLINE_VPARAM) */

#   define Vparam_memChk(thee) (Vmem_bytes((thee)->vmem))

#endif /* if !defined(VINLINE_VPARAM) */

/* ///////////////////////////////////////////////////////////////////////////
// Class Vparam: Non-Inlineable methods (vparam.c)

Vparam_AtomData* Vparam_AtomData_ctor();

int Vparam_AtomData_ctor2(Vparam_AtomData *thee);

void Vparam_AtomData_dtor(Vparam_AtomData **thee);

void Vparam_AtomData_dtor2(Vparam_AtomData *thee);

void Vparam_AtomData_copyTo(Vparam_AtomData *thee, 
  Vparam_AtomData *dest); 

void Vparam_AtomData_copyFrom(Vparam_AtomData *thee, 
  Vparam_AtomData *src); 

Vparam_ResData* Vparam_ResData_ctor(Vmem *mem);

int Vparam_ResData_ctor2(Vparam_ResData *thee, Vmem *mem);

void Vparam_ResData_dtor(Vparam_ResData **thee);

void Vparam_ResData_dtor2(Vparam_ResData *thee);

Vparam* Vparam_ctor();

int Vparam_ctor2(Vparam *thee);

void Vparam_dtor(Vparam **thee);

void Vparam_dtor2(Vparam *thee);

Vparam_ResData* Vparam_getResData(Vparam *thee, 
  char resName[VMAX_ARGLEN]);

Vparam_AtomData* Vparam_getAtomData(Vparam *thee, 
  char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN]);

int Vparam_readFlatFile(Vparam *thee, const char *iodev, 
  const char *iofmt, const char *thost, const char *fname);

#endif    /* ifndef _VPARAM_H_ */

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