Data Structures | Typedefs | Functions

src/generic/apbs/vparam.h File Reference

Contains declarations for class Vparam. More...

#include "maloc/maloc.h"
#include "apbs/vhal.h"
#include "apbs/vunit.h"
#include "apbs/vstring.h"
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Data Structures

struct  sVparam_AtomData
 AtomData sub-class; stores atom data. More...
struct  Vparam_ResData
 ResData sub-class; stores residue data. More...
struct  Vparam
 Reads and assigns charge/radii parameters. More...

Typedefs

typedef struct sVparam_AtomData Vparam_AtomData
 Declaration of the Vparam_AtomData class as the sVparam_AtomData structure.
typedef struct Vparam_ResData Vparam_ResData
 Declaration of the Vparam_ResData class as the Vparam_ResData structure.
typedef struct Vparam Vparam
 Declaration of the Vparam class as the Vparam structure.

Functions

VEXTERNC unsigned long int Vparam_memChk (Vparam *thee)
 Get number of bytes in this object and its members.
VEXTERNC Vparam_AtomDataVparam_AtomData_ctor ()
 Construct the object.
VEXTERNC int Vparam_AtomData_ctor2 (Vparam_AtomData *thee)
 FORTRAN stub to construct the object.
VEXTERNC void Vparam_AtomData_dtor (Vparam_AtomData **thee)
 Destroy object.
VEXTERNC void Vparam_AtomData_dtor2 (Vparam_AtomData *thee)
 FORTRAN stub to destroy object.
VEXTERNC void Vparam_AtomData_copyTo (Vparam_AtomData *thee, Vparam_AtomData *dest)
 Copy current atom object to destination.
VEXTERNC void Vparam_ResData_copyTo (Vparam_ResData *thee, Vparam_ResData *dest)
 Copy current residue object to destination.
VEXTERNC void Vparam_AtomData_copyFrom (Vparam_AtomData *thee, Vparam_AtomData *src)
 Copy current atom object from another.
VEXTERNC Vparam_ResDataVparam_ResData_ctor (Vmem *mem)
 Construct the object.
VEXTERNC int Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem)
 FORTRAN stub to construct the object.
VEXTERNC void Vparam_ResData_dtor (Vparam_ResData **thee)
 Destroy object.
VEXTERNC void Vparam_ResData_dtor2 (Vparam_ResData *thee)
 FORTRAN stub to destroy object.
VEXTERNC VparamVparam_ctor ()
 Construct the object.
VEXTERNC int Vparam_ctor2 (Vparam *thee)
 FORTRAN stub to construct the object.
VEXTERNC void Vparam_dtor (Vparam **thee)
 Destroy object.
VEXTERNC void Vparam_dtor2 (Vparam *thee)
 FORTRAN stub to destroy object.
VEXTERNC Vparam_ResDataVparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN])
 Get residue data.
VEXTERNC Vparam_AtomDataVparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN])
 Get atom data.
VEXTERNC int Vparam_readFlatFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
 Read a flat-file format parameter database.
VEXTERNC int Vparam_readXMLFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
 Read an XML format parameter database.

Detailed Description

Contains declarations for class Vparam.

Version:
Id:
vparam.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.
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 * 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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 * 
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Definition in file vparam.h.