Oracle for Cartesian mesh data. More...

Files
file	vgrid.c
	Class Vgrid methods.

file	vgrid.h
	Potential oracle for Cartesian mesh data.

Data Structures
struct	sVgrid
	Electrostatic potential oracle for Cartesian mesh data. More...

Macros
#define	VGRID_DIGITS 6
	Number of decimal places for comparisons and formatting.

Typedefs
typedef struct sVgrid	Vgrid
	Declaration of the Vgrid class as the sVgrid structure.

Functions
VEXTERNC unsigned long int	Vgrid_memChk (Vgrid *thee)
	Return the memory used by this structure (and its contents) in bytes.

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)

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)

VEXTERNC int	Vgrid_value (Vgrid thee, double x[3], double value)
	Get potential value (from mesh or approximation) at a point.

VEXTERNC void	Vgrid_dtor (Vgrid **thee)
	Object destructor.

VEXTERNC void	Vgrid_dtor2 (Vgrid *thee)
	FORTRAN stub object destructor.

VEXTERNC int	Vgrid_curvature (Vgrid thee, double pt[3], int cflag, double curv)
	Get second derivative values at a point.

VEXTERNC int	Vgrid_gradient (Vgrid *thee, double pt[3], double grad[3])
	Get first derivative values at a point.

VEXTERNC int	Vgrid_readGZ (Vgrid thee, const char fname)
	Read in OpenDX data in GZIP 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 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 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 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 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 double	Vgrid_integrate (Vgrid *thee)
	Get the integral of the data.

VEXTERNC double	Vgrid_normL1 (Vgrid *thee)
	Get the norm of the data. This returns the integral:

VEXTERNC double	Vgrid_normL2 (Vgrid *thee)
	Get the norm of the data. This returns the integral:

VEXTERNC double	Vgrid_normLinf (Vgrid *thee)
	Get the $L_\infty$ 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 double	Vgrid_normH1 (Vgrid *thee)
	Get the norm (or energy norm) of the data. This returns the integral:

Detailed Description

Oracle for Cartesian mesh data.

Macro Definition Documentation

◆ VGRID_DIGITS

#define VGRID_DIGITS 6

Number of decimal places for comparisons and formatting.

Definition at line 74 of file vgrid.h.

Typedef Documentation

◆ Vgrid

typedef struct sVgrid Vgrid

Declaration of the Vgrid class as the sVgrid structure.

Definition at line 106 of file vgrid.h.

Function Documentation

◆ Vgrid_ctor()

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)

Author: Nathan Baker

Parameters

nx	Number grid points in x direction
ny	Number grid points in y direction
nz	Number grid points in z direction
hx	Grid spacing in x direction
hy	Grid spacing in y direction
hzed	Grid spacing in z direction
xmin	x coordinate of lower grid corner
ymin	y coordinate of lower grid corner
zmin	z coordinate of lower grid corner
data	nxnynz array of data. This can be VNULL if you are planning to read in data later with one of the read routines

Returns: Newly allocated and initialized Vgrid object

Definition at line 86 of file vgrid.c.

◆ Vgrid_ctor2()

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)

Author: Nathan Baker

Parameters

thee	Pointer to newly allocated Vgrid object
nx	Number grid points in x direction
ny	Number grid points in y direction
nz	Number grid points in z direction
hx	Grid spacing in x direction
hy	Grid spacing in y direction
hzed	Grid spacing in z direction
xmin	x coordinate of lower grid corner
ymin	y coordinate of lower grid corner
zmin	z coordinate of lower grid corner
data	nxnynz array of data. This can be VNULL if you are planning to read in data later with one of the read routines

Returns: Newly allocated and initialized Vgrid object

Definition at line 112 of file vgrid.c.

◆ Vgrid_curvature()

VEXTERNC int Vgrid_curvature	(	Vgrid *	thee,
		double	pt[3],
		int	cflag,
		double *	curv )

Get second derivative values at a point.

Author: Steve Bond and Nathan Baker

Parameters

thee	Pointer to Vgrid object
pt	Location to evaluate second derivative
cflag	0: Reduced Maximal Curvature 1: Mean Curvature (Laplace) 2: Gauss Curvature 3: True Maximal Curvature
curv	Specified curvature value

Returns: 1 if successful, 0 if off grid

Definition at line 299 of file vgrid.c.

◆ Vgrid_dtor()

VEXTERNC void Vgrid_dtor ( Vgrid ** thee )

Object destructor.

Author: Nathan Baker

Parameters

thee	Pointer to memory location of object to be destroyed

Definition at line 152 of file vgrid.c.

◆ Vgrid_dtor2()

VEXTERNC void Vgrid_dtor2 ( Vgrid * thee )

FORTRAN stub object destructor.

Author: Nathan Baker

Parameters

thee	Pointer to object to be destroyed

Definition at line 165 of file vgrid.c.

◆ Vgrid_gradient()

VEXTERNC int Vgrid_gradient	(	Vgrid *	thee,
		double	pt[3],
		double	grad[3] )

Get first derivative values at a point.

Author: Nathan Baker and Steve Bond

Parameters

thee	Pointer to Vgrid object
pt	Location to evaluate gradient
grad	Gradient

Returns: 1 if successful, 0 if off grid

Definition at line 379 of file vgrid.c.

◆ Vgrid_integrate()

VEXTERNC double Vgrid_integrate ( Vgrid * thee )

Get the integral of the data.

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: Integral of data

Definition at line 1790 of file vgrid.c.

◆ Vgrid_memChk()

VEXTERNC unsigned long int Vgrid_memChk ( Vgrid * thee )

Return the memory used by this structure (and its contents) in bytes.

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: The memory used by this structure and its contents in bytes

Definition at line 63 of file vgrid.c.

◆ Vgrid_normH1()

VEXTERNC double Vgrid_normH1 ( Vgrid * thee )

Get the norm (or energy norm) of the data. This returns the integral:

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: Integral of data
$\| u \|_{H_1} = \left( \int_\Omega |\nabla u(x)|^2 dx + \int_\Omega |u(x)|^2 dx \right)^{1/2}$

Definition at line 1931 of file vgrid.c.

◆ Vgrid_normL1()

VEXTERNC double Vgrid_normL1 ( Vgrid * thee )

Get the norm of the data. This returns the integral:

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: norm of data
$\| u \|_{L_1} = \int_\Omega | u(x) | dx$

Definition at line 1828 of file vgrid.c.

◆ Vgrid_normL2()

VEXTERNC double Vgrid_normL2 ( Vgrid * thee )

Get the norm of the data. This returns the integral:

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: norm of data
$\| u \|_{L_2} = \left( \int_\Omega | u(x) |^2 dx \right)^{1/2}$

Definition at line 1858 of file vgrid.c.

◆ Vgrid_normLinf()

VEXTERNC double Vgrid_normLinf ( Vgrid * thee )

Get the $L_\infty$ norm of the data. This returns the integral:

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: $L\infty$ norm of data
$\| u \|_{L_\infty} = \sup_{x \in \Omega} | u(x) |$

Definition at line 1946 of file vgrid.c.

◆ Vgrid_readDX()

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.

Note: All dimension information is given in order: z, y, x

Author: Nathan Baker

Parameters

thee	Vgrid object
iodev	Input device type (FILE/BUFF/UNIX/INET)
iofmt	Input device format (ASCII/XDR)
thost	Input hostname (for sockets)
fname	Input FILE/BUFF/UNIX/INET name

Returns: 1 if sucessful, 0 otherwise

Load grid from an input file using sockets.

Author: Nathan Baker

Definition at line 586 of file vgrid.c.

◆ Vgrid_readDXBIN()

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.

Note: All dimension information is given in order: z, y, x

Author: Juan Brandi

Parameters

thee	Vgrid object
iodev	Input device type (FILE/BUFF/UNIX/INET)
iofmt	Input device format (ASCII/XDR)
thost	Input hostname (for sockets)
fname	Input FILE/BUFF/UNIX/INET name

Returns: 1 if sucessful, 0 otherwise

Load grid from an input dx binary file.

Author: Juan Brandi

Definition at line 810 of file vgrid.c.

◆ Vgrid_readGZ()

VEXTERNC int Vgrid_readGZ	(	Vgrid *	thee,
		const char *	fname )

Read in OpenDX data in GZIP format.

Author: Dave Gohara

Returns: 1 if successful, 0 otherwise

Parameters

thee	Object with grid data to write
fname	Path to write to

Definition at line 462 of file vgrid.c.

◆ Vgrid_seminormH1()

VEXTERNC double Vgrid_seminormH1 ( Vgrid * thee )

Get the semi-norm of the data. This returns the integral:

Author: Nathan Baker

Parameters

thee	Vgrid object

Returns: Integral of data
$| u |_{H_1} = \left( \int_\Omega |\nabla u(x)|^2 dx \right)^{1/2}$

Definition at line 1888 of file vgrid.c.

◆ Vgrid_value()

VEXTERNC int Vgrid_value	(	Vgrid *	thee,
		double	x[3],
		double *	value )

Get potential value (from mesh or approximation) at a point.

Author: Nathan Baker

Parameters

thee	Vgrid obejct
x	Point at which to evaluate potential
value	Value of data at point x

Returns: 1 if successful, 0 if off grid

Definition at line 179 of file vgrid.c.

◆ Vgrid_writeDX()

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.

Author: Nathan Baker

Parameters

thee	Grid object
iodev	Output device type (FILE/BUFF/UNIX/INET)
iofmt	Output device format (ASCII/XDR)
thost	Output hostname (for sockets)
fname	Output FILE/BUFF/UNIX/INET name
title	Title to be inserted in grid file
pvec	Partition weight ( if 1: point in current partition, if 0 point not in current partition if > 0 && < 1 point on/near boundary )

Definition at line 1206 of file vgrid.c.

◆ Vgrid_writeDXBIN()

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.

Author: Nathan Baker

Parameters

thee	Grid object
iodev	Output device type (FILE/BUFF/UNIX/INET)
iofmt	Output device format (ASCII/XDR)
thost	Output hostname (for sockets)
fname	Output FILE/BUFF/UNIX/INET name
title	Title to be inserted in grid file
pvec	Partition weight ( if 1: point in current partition, if 0 point not in current partition if > 0 && < 1 point on/near boundary )

Definition at line 1458 of file vgrid.c.

◆ Vgrid_writeUHBD()

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.

Note

The mesh spacing should be uniform
Format changed from %12.6E to %12.5E

Author: Nathan Baker

Parameters

thee	Grid object
iodev	Output device type (FILE/BUFF/UNIX/INET)
iofmt	Output device format (ASCII/XDR)
thost	Output hostname (for sockets)
fname	Output FILE/BUFF/UNIX/INET name
title	Title to be inserted in grid file
pvec	Partition weight ( if 1: point in current partition, if 0 point not in current partition if > 0 && < 1 point on/near boundary )

Bug: This routine does not respect partition information

Definition at line 1692 of file vgrid.c.

Files

Data Structures

Macros

Typedefs

Functions

Detailed Description

Macro Definition Documentation

◆ VGRID_DIGITS

Typedef Documentation

◆ Vgrid

Function Documentation

◆ Vgrid_ctor()

◆ Vgrid_ctor2()

◆ Vgrid_curvature()

◆ Vgrid_dtor()

◆ Vgrid_dtor2()

◆ Vgrid_gradient()

◆ Vgrid_integrate()

◆ Vgrid_memChk()

◆ Vgrid_normH1()

◆ Vgrid_normL1()

◆ Vgrid_normL2()

◆ Vgrid_normLinf()

◆ Vgrid_readDX()

◆ Vgrid_readDXBIN()

◆ Vgrid_readGZ()

◆ Vgrid_seminormH1()

◆ Vgrid_value()

◆ Vgrid_writeDX()

◆ Vgrid_writeDXBIN()

◆ Vgrid_writeUHBD()