Data Structures | Typedefs | Enumerations | Functions

src/generic/apbs/mgparm.h File Reference

Contains declarations for class MGparm. More...

#include "maloc/maloc.h"
#include "apbs/vhal.h"
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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.

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enum  eMGparm_CentMeth { MCM_POINT = 0, MCM_MOLECULE = 1, MCM_FOCUS = 2 }
 

Centering method.

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Functions

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

Contains declarations for class MGparm.

Version:
Id:
mgparm.h 1552 2010-02-10 17:46:27Z yhuang01
Author:
Nathan A. Baker
Attention:
 *
 * APBS -- Adaptive Poisson-Boltzmann Solver
 *
 * Nathan A. Baker (nathan.baker@pnl.gov)
 * Pacific Northwest National Laboratory
 *
 * Additional contributing authors listed in the code documentation.
 *
 * Copyright (c) 2010, Pacific Northwest National Laboratory.  Portions Copyright (c) 2002-2010, Washington University in St. Louis.  Portions Copyright (c) 2002-2010, Nathan A. Baker.  Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst.
 * All rights reserved.
 * 
 * Redistribution and use in source and binary forms, with or without
 * modification, are permitted provided that the following conditions are met: 
 *
 * -  Redistributions of source code must retain the above copyright notice, this
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Definition in file mgparm.h.