APBS 3.0.0
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MGparm class

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

Files

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

Data Structures

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

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

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

Typedef Documentation

◆ MGparm

typedef struct sMGparm MGparm

Declaration of the MGparm class as the MGparm structure.

Definition at line 203 of file mgparm.h.

◆ MGparm_CalcType

Declare MGparm_CalcType type.

Definition at line 89 of file mgparm.h.

◆ MGparm_CentMeth

Declare MGparm_CentMeth type.

Definition at line 105 of file mgparm.h.

Enumeration Type Documentation

◆ eMGparm_CalcType

Calculation type.

Enumerator
MCT_MANUAL 

mg-manual

MCT_AUTO 

mg-auto

MCT_PARALLEL 

mg-para

MCT_DUMMY 

mg-dummy

MCT_NONE 

unspecified

Definition at line 77 of file mgparm.h.

◆ eMGparm_CentMeth

Centering method.

Enumerator
MCM_POINT 

Center on a point

MCM_MOLECULE 

Center on a molecule

MCM_FOCUS 

Determined by focusing

Definition at line 95 of file mgparm.h.

Function Documentation

◆ APOLparm_parseToken()

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

Parse an MG keyword from an input file.

Author
David Gohara
Parameters
theeMGparm object
tokToken to parse
sockStream 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)

Definition at line 577 of file apolparm.c.

◆ FEMparm_parseToken()

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

Parse an MG keyword from an input file.

Author
Nathan Baker
Parameters
theeMGparm object
tokToken to parse
sockStream 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

Definition at line 431 of file femparm.c.

◆ MGparm_check()

VEXTERNC Vrc_Codes MGparm_check ( MGparm * thee)

Consistency check for parameter values stored in object.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Success enumeration

Definition at line 185 of file mgparm.c.

◆ MGparm_copy()

VEXTERNC void MGparm_copy ( MGparm * thee,
MGparm * parm )

Copy MGparm object into thee.

Author
Nathan Baker and Todd Dolinsky
Parameters
theeMGparm object (target for copy)
parmMGparm object (source for copy)

Definition at line 341 of file mgparm.c.

◆ MGparm_ctor()

VEXTERNC MGparm * MGparm_ctor ( MGparm_CalcType type)

Construct MGparm object.

Author
Nathan Baker
Parameters
typeType of MG calculation
Returns
Newly allocated and initialized MGparm object

Definition at line 114 of file mgparm.c.

◆ MGparm_ctor2()

VEXTERNC Vrc_Codes MGparm_ctor2 ( MGparm * thee,
MGparm_CalcType type )

FORTRAN stub to construct MGparm object.

Author
Nathan Baker and Todd Dolinsky
Parameters
theeSpace for MGparm object
typeType of MG calculation
Returns
Success enumeration

Definition at line 125 of file mgparm.c.

◆ MGparm_dtor()

VEXTERNC void MGparm_dtor ( MGparm ** thee)

Object destructor.

Author
Nathan Baker
Parameters
theePointer to memory location of MGparm object

Definition at line 175 of file mgparm.c.

◆ MGparm_dtor2()

VEXTERNC void MGparm_dtor2 ( MGparm * thee)

FORTRAN stub for object destructor.

Author
Nathan Baker
Parameters
theePointer to MGparm object

Definition at line 183 of file mgparm.c.

◆ MGparm_getCenterX()

VEXTERNC double MGparm_getCenterX ( MGparm * thee)

Get center x-coordinate.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
x-coordinate

Definition at line 77 of file mgparm.c.

◆ MGparm_getCenterY()

VEXTERNC double MGparm_getCenterY ( MGparm * thee)

Get center y-coordinate.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
y-coordinate

Definition at line 81 of file mgparm.c.

◆ MGparm_getCenterZ()

VEXTERNC double MGparm_getCenterZ ( MGparm * thee)

Get center z-coordinate.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
z-coordinate

Definition at line 85 of file mgparm.c.

◆ MGparm_getHx()

VEXTERNC double MGparm_getHx ( MGparm * thee)

Get grid spacing in x direction (Å)

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Grid spacing in the x direction

Definition at line 101 of file mgparm.c.

◆ MGparm_getHy()

VEXTERNC double MGparm_getHy ( MGparm * thee)

Get grid spacing in y direction (Å)

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Grid spacing in the y direction

Definition at line 105 of file mgparm.c.

◆ MGparm_getHz()

VEXTERNC double MGparm_getHz ( MGparm * thee)

Get grid spacing in z direction (Å)

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Grid spacing in the z direction

Definition at line 109 of file mgparm.c.

◆ MGparm_getNx()

VEXTERNC int MGparm_getNx ( MGparm * thee)

Get number of grid points in x direction.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Number of grid points in the x direction

Definition at line 89 of file mgparm.c.

◆ MGparm_getNy()

VEXTERNC int MGparm_getNy ( MGparm * thee)

Get number of grid points in y direction.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Number of grid points in the y direction

Definition at line 93 of file mgparm.c.

◆ MGparm_getNz()

VEXTERNC int MGparm_getNz ( MGparm * thee)

Get number of grid points in z direction.

Author
Nathan Baker
Parameters
theeMGparm object
Returns
Number of grid points in the z direction

Definition at line 97 of file mgparm.c.

◆ MGparm_parseToken()

VEXTERNC 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
theeMGparm object
tokToken to parse
sockStream 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)

Definition at line 919 of file mgparm.c.

◆ MGparm_setCenterX()

VEXTERNC void MGparm_setCenterX ( MGparm * thee,
double x )

Set center x-coordinate.

Author
Nathan Baker
Parameters
theeMGparm object
xx-coordinate

Definition at line 65 of file mgparm.c.

◆ MGparm_setCenterY()

VEXTERNC void MGparm_setCenterY ( MGparm * thee,
double y )

Set center y-coordinate.

Author
Nathan Baker
Parameters
theeMGparm object
yy-coordinate

Definition at line 69 of file mgparm.c.

◆ MGparm_setCenterZ()

VEXTERNC void MGparm_setCenterZ ( MGparm * thee,
double z )

Set center z-coordinate.

Author
Nathan Baker
Parameters
theeMGparm object
zz-coordinate

Definition at line 73 of file mgparm.c.