MGparm class

Parameter which holds useful parameters for generic multigrid calculations. More...


Data Structures

struct  sMGparm
 Parameter structure for MG-specific variables from input files. More...

Files

file  mgparm.h
 Contains declarations for class MGparm.
file  mgparm.c
 Class MGparm methods.

Typedefs

typedef enum eMGparm_CalcType MGparm_CalcType
 Declare MGparm_CalcType type.
typedef enum eMGparm_CentMeth MGparm_CentMeth
 Declare MGparm_CentMeth type.
typedef struct sMGparm MGparm
 Declaration of the MGparm class as the MGparm structure.

Enumerations

enum  eMGparm_CalcType {
  MCT_MANUAL = 0,
  MCT_AUTO = 1,
  MCT_PARALLEL = 2,
  MCT_DUMMY = 3,
  MCT_NONE = 4
}
 Calculation type. More...
enum  eMGparm_CentMeth {
  MCM_POINT = 0,
  MCM_MOLECULE = 1,
  MCM_FOCUS = 2
}
 Centering method. More...

Functions

Vrc_Codes APOLparm_parseToken (APOLparm *thee, char tok[VMAX_BUFSIZE], Vio *sock)
 Parse an MG keyword from an input file.
Vrc_Codes FEMparm_parseToken (FEMparm *thee, char tok[VMAX_BUFSIZE], Vio *sock)
 Parse an MG keyword from an input file.
int MGparm_getNx (MGparm *thee)
 Get number of grid points in x direction.
int MGparm_getNy (MGparm *thee)
 Get number of grid points in y direction.
int MGparm_getNz (MGparm *thee)
 Get number of grid points in z direction.
double MGparm_getHx (MGparm *thee)
 Get grid spacing in x direction (Å).
double MGparm_getHy (MGparm *thee)
 Get grid spacing in y direction (Å).
double MGparm_getHz (MGparm *thee)
 Get grid spacing in z direction (Å).
void MGparm_setCenterX (MGparm *thee, double x)
 Set center x-coordinate.
void MGparm_setCenterY (MGparm *thee, double y)
 Set center y-coordinate.
void MGparm_setCenterZ (MGparm *thee, double z)
 Set center z-coordinate.
double MGparm_getCenterX (MGparm *thee)
 Get center x-coordinate.
double MGparm_getCenterY (MGparm *thee)
 Get center y-coordinate.
double MGparm_getCenterZ (MGparm *thee)
 Get center z-coordinate.
MGparmMGparm_ctor (MGparm_CalcType type)
 Construct MGparm object.
Vrc_Codes MGparm_ctor2 (MGparm *thee, MGparm_CalcType type)
 FORTRAN stub to construct MGparm object.
void MGparm_dtor (MGparm **thee)
 Object destructor.
void MGparm_dtor2 (MGparm *thee)
 FORTRAN stub for object destructor.
Vrc_Codes MGparm_check (MGparm *thee)
 Consistency check for parameter values stored in object.
void MGparm_copy (MGparm *thee, MGparm *parm)
 Copy MGparm object into thee.
Vrc_Codes MGparm_parseToken (MGparm *thee, char tok[VMAX_BUFSIZE], Vio *sock)
 Parse an MG keyword from an input file.


Detailed Description

Parameter which holds useful parameters for generic multigrid calculations.

Enumeration Type Documentation

Calculation type.

Enumerator:
MCT_MANUAL  mg-manual
MCT_AUTO  mg-auto
MCT_PARALLEL  mg-para
MCT_DUMMY  mg-dummy
MCT_NONE  unspecified

Centering method.

Enumerator:
MCM_POINT  Center on a point
MCM_MOLECULE  Center on a molecule
MCM_FOCUS  Determined by focusing


Function Documentation

Vrc_Codes APOLparm_parseToken ( APOLparm thee,
char  tok[VMAX_BUFSIZE],
Vio *  sock 
)

Parse an MG keyword from an input file.

Author:
David Gohara
Parameters:
thee MGparm object
tok Token to parse
sock Stream for more tokens
Returns:
Success enumeration (1 if matched and assigned; -1 if matched, but there's some sort of error (i.e., too few args); 0 if not matched)

References VRC_FAILURE, and Vstring_strcasecmp().

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Vrc_Codes FEMparm_parseToken ( FEMparm thee,
char  tok[VMAX_BUFSIZE],
Vio *  sock 
)

Parse an MG keyword from an input file.

Author:
Nathan Baker
Parameters:
thee MGparm object
tok Token to parse
sock Stream for more tokens
Returns:
VRC_SUCCESS if matched and assigned; VRC_FAILURE if matched, but there's some sort of error (i.e., too few args); VRC_WARNING if not matched

References VRC_FAILURE, and Vstring_strcasecmp().

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Vrc_Codes MGparm_check ( MGparm thee  ) 

void MGparm_copy ( MGparm thee,
MGparm parm 
)

MGparm* MGparm_ctor ( MGparm_CalcType  type  ) 

Construct MGparm object.

Author:
Nathan Baker
Parameters:
type Type of MG calculation
Returns:
Newly allocated and initialized MGparm object

References MGparm_ctor2(), and VRC_SUCCESS.

Referenced by NOsh_calc_ctor().

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Vrc_Codes MGparm_ctor2 ( MGparm thee,
MGparm_CalcType  type 
)

void MGparm_dtor ( MGparm **  thee  ) 

Object destructor.

Author:
Nathan Baker
Parameters:
thee Pointer to memory location of MGparm object

References MGparm_dtor2().

Referenced by NOsh_calc_dtor().

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void MGparm_dtor2 ( MGparm thee  ) 

FORTRAN stub for object destructor.

Author:
Nathan Baker
Parameters:
thee Pointer to MGparm object

Referenced by MGparm_dtor().

double MGparm_getCenterX ( MGparm thee  ) 

Get center x-coordinate.

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
x-coordinate

References sMGparm::center.

double MGparm_getCenterY ( MGparm thee  ) 

Get center y-coordinate.

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
y-coordinate

References sMGparm::center.

double MGparm_getCenterZ ( MGparm thee  ) 

Get center z-coordinate.

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
z-coordinate

References sMGparm::center.

double MGparm_getHx ( MGparm thee  ) 

Get grid spacing in x direction (Å).

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
Grid spacing in the x direction

References sMGparm::grid.

double MGparm_getHy ( MGparm thee  ) 

Get grid spacing in y direction (Å).

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
Grid spacing in the y direction

References sMGparm::grid.

double MGparm_getHz ( MGparm thee  ) 

Get grid spacing in z direction (Å).

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
Grid spacing in the z direction

References sMGparm::grid.

int MGparm_getNx ( MGparm thee  ) 

Get number of grid points in x direction.

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
Number of grid points in the x direction

References sMGparm::dime.

int MGparm_getNy ( MGparm thee  ) 

Get number of grid points in y direction.

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
Number of grid points in the y direction

References sMGparm::dime.

int MGparm_getNz ( MGparm thee  ) 

Get number of grid points in z direction.

Author:
Nathan Baker
Parameters:
thee MGparm object
Returns:
Number of grid points in the z direction

References sMGparm::dime.

Vrc_Codes MGparm_parseToken ( MGparm thee,
char  tok[VMAX_BUFSIZE],
Vio *  sock 
)

Parse an MG keyword from an input file.

Author:
Nathan Baker and Todd Dolinsky
Parameters:
thee MGparm object
tok Token to parse
sock Stream for more tokens
Returns:
Success enumeration (1 if matched and assigned; -1 if matched, but there's some sort of error (i.e., too few args); 0 if not matched)

References VRC_FAILURE, and Vstring_strcasecmp().

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void MGparm_setCenterX ( MGparm thee,
double  x 
)

Set center x-coordinate.

Author:
Nathan Baker
Parameters:
thee MGparm object
x x-coordinate

References sMGparm::center.

void MGparm_setCenterY ( MGparm thee,
double  y 
)

Set center y-coordinate.

Author:
Nathan Baker
Parameters:
thee MGparm object
y y-coordinate

References sMGparm::center.

void MGparm_setCenterZ ( MGparm thee,
double  z 
)

Set center z-coordinate.

Author:
Nathan Baker
Parameters:
thee MGparm object
z z-coordinate

References sMGparm::center.


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