67 #include "maloc/maloc.h" 74 #define VGRID_DIGITS 6 108 #if !defined(VINLINE_VGRID) 128 #define Vgrid_memChk(thee) (Vmem_bytes((thee)->vmem)) 267 const char *iofmt,
const char *thost,
const char *fname,
char *title,
285 const char *iofmt,
const char *thost,
const char *fname,
char *title,
300 const char *thost,
const char *fname);
317 const char *iofmt,
const char *thost,
const char *fname,
char *title,
333 const char *thost,
const char *fname);
VEXTERNC void Vgrid_writeDXBIN(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec)
Write out the binary data in OpenDX grid format.
VEXTERNC double Vgrid_normH1(Vgrid *thee)
Get the norm (or energy norm) of the data. This returns the integral: .
VEXTERNC void Vgrid_writeDX(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec)
Write out the data in OpenDX grid format.
VEXTERNC void Vgrid_writeUHBD(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec)
Write out the data in UHBD grid format.
VEXTERNC double Vgrid_normL1(Vgrid *thee)
Get the norm of the data. This returns the integral: .
VEXTERNC void Vgrid_dtor(Vgrid **thee)
Object destructor.
VEXTERNC double Vgrid_normLinf(Vgrid *thee)
Get the norm of the data. This returns the integral: .
Electrostatic potential oracle for Cartesian mesh data.
VEXTERNC int Vgrid_readGZ(Vgrid *thee, const char *fname)
Read in OpenDX data in GZIP format.
VEXTERNC int Vgrid_readDXBIN(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
Read in binary data in OpenDX grid format.
VEXTERNC void Vgrid_writeGZ(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec)
Write out OpenDX data in GZIP format.
VEXTERNC int Vgrid_curvature(Vgrid *thee, double pt[3], int cflag, double *curv)
Get second derivative values at a point.
VEXTERNC void Vgrid_dtor2(Vgrid *thee)
FORTRAN stub object destructor.
VEXTERNC double Vgrid_integrate(Vgrid *thee)
Get the integral of the data.
VEXTERNC int Vgrid_ctor2(Vgrid *thee, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data)
Initialize Vgrid object with values obtained from Vpmg_readDX (for example)
Contains declarations for class Vstring.
VEXTERNC int Vgrid_gradient(Vgrid *thee, double pt[3], double grad[3])
Get first derivative values at a point.
VEXTERNC unsigned long int Vgrid_memChk(Vgrid *thee)
Return the memory used by this structure (and its contents) in bytes.
Contains generic macro definitions for APBS.
VEXTERNC int Vgrid_readDX(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
Read in data in OpenDX grid format.
VEXTERNC double Vgrid_normL2(Vgrid *thee)
Get the norm of the data. This returns the integral: .
VEXTERNC double Vgrid_seminormH1(Vgrid *thee)
Get the semi-norm of the data. This returns the integral: .
VEXTERNC int Vgrid_value(Vgrid *thee, double x[3], double *value)
Get potential value (from mesh or approximation) at a point.
VEXTERNC Vgrid * Vgrid_ctor(int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data)
Construct Vgrid object with values obtained from Vpmg_readDX (for example)