programmer/html/vopot_8h_source.html

#ifndef _VOPOT_H_

#define _VOPOT_H_


#include "apbscfg.h"


#include "maloc/maloc.h"


#include "generic/vhal.h"

#include "generic/pbeparm.h"

#include "generic/vatom.h"

#include "generic/valist.h"

#include "generic/vunit.h"

#include "generic/vpbe.h"

#include "generic/pbeparm.h"

#include "mg/vmgrid.h"


struct sVopot {


    Vmgrid *mgrid;

    Vpbe   *pbe;

    Vbcfl bcfl;

};


typedef struct sVopot Vopot;


VEXTERNC Vopot*  Vopot_ctor(Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl);


VEXTERNC int Vopot_ctor2(Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl);


VEXTERNC int Vopot_pot(Vopot *thee, double x[3], double *pot);


VEXTERNC void Vopot_dtor(Vopot **thee);


VEXTERNC void Vopot_dtor2(Vopot *thee);


VEXTERNC int Vopot_curvature(Vopot *thee, double pt[3], int cflag, double

  *curv);


VEXTERNC int Vopot_gradient(Vopot *thee, double pt[3], double grad[3] );


#endif

Vbcfl
enum eVbcfl Vbcfl
Declare Vbcfl type.
Definition vhal.h:223

Vmgrid
struct sVmgrid Vmgrid
Declaration of the Vmgrid class as the Vgmrid structure.
Definition vmgrid.h:98

Vopot_dtor2
VEXTERNC void Vopot_dtor2(Vopot *thee)
FORTRAN stub object destructor.
Definition vopot.c:107

Vopot_gradient
VEXTERNC int Vopot_gradient(Vopot *thee, double pt[3], double grad[3])
Get first derivative values at a point.
Definition vopot.c:300

Vopot_ctor
VEXTERNC Vopot * Vopot_ctor(Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
Construct Vopot object with values obtained from Vpmg_readDX (for example).
Definition vopot.c:65

Vopot_ctor2
VEXTERNC int Vopot_ctor2(Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
Initialize Vopot object with values obtained from Vpmg_readDX (for example).
Definition vopot.c:80

Vopot_dtor
VEXTERNC void Vopot_dtor(Vopot **thee)
Object destructor.
Definition vopot.c:94

Vopot
struct sVopot Vopot
Declaration of the Vopot class as the Vopot structure.
Definition vopot.h:96

Vopot_pot
VEXTERNC int Vopot_pot(Vopot *thee, double x[3], double *pot)
Get potential value (from mesh or approximation) at a point.
Definition vopot.c:114

Vopot_curvature
VEXTERNC int Vopot_curvature(Vopot *thee, double pt[3], int cflag, double *curv)
Get second derivative values at a point.
Definition vopot.c:214

Vpbe
struct sVpbe Vpbe
Declaration of the Vpbe class as the Vpbe structure.
Definition vpbe.h:144

pbeparm.h
Contains declarations for class PBEparm.

sVopot
Electrostatic potential oracle for Cartesian mesh data.
Definition vopot.h:83

sVopot::bcfl
Vbcfl bcfl
Definition vopot.h:88

sVopot::pbe
Vpbe * pbe
Definition vopot.h:87

sVopot::mgrid
Vmgrid * mgrid
Definition vopot.h:85

valist.h
Contains declarations for class Valist.

vatom.h
Contains declarations for class Vatom.

vhal.h
Contains generic macro definitions for APBS.

vmgrid.h
Multiresolution oracle for Cartesian mesh data.

vpbe.h
Contains declarations for class Vpbe.

vunit.h
Contains a collection of useful constants and conversion factors.