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
unsigned long int	Vparam_memChk (Vparam *thee)
	Get number of bytes in this object and its members.
Vparam_AtomData *	Vparam_AtomData_ctor ()
	Construct the object.
int	Vparam_AtomData_ctor2 (Vparam_AtomData *thee)
	FORTRAN stub to construct the object.
void	Vparam_AtomData_dtor (Vparam_AtomData **thee)
	Destroy object.
void	Vparam_AtomData_dtor2 (Vparam_AtomData *thee)
	FORTRAN stub to destroy object.
void	Vparam_AtomData_copyTo (Vparam_AtomData *thee, Vparam_AtomData *dest)
	Copy current atom object to destination.
void	Vparam_ResData_copyTo (Vparam_ResData *thee, Vparam_ResData *dest)
	Copy current residue object to destination.
void	Vparam_AtomData_copyFrom (Vparam_AtomData *thee, Vparam_AtomData *src)
	Copy current atom object from another.
Vparam_ResData *	Vparam_ResData_ctor (Vmem *mem)
	Construct the object.
int	Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem)
	FORTRAN stub to construct the object.
void	Vparam_ResData_dtor (Vparam_ResData **thee)
	Destroy object.
void	Vparam_ResData_dtor2 (Vparam_ResData *thee)
	FORTRAN stub to destroy object.
Vparam *	Vparam_ctor ()
	Construct the object.
int	Vparam_ctor2 (Vparam *thee)
	FORTRAN stub to construct the object.
void	Vparam_dtor (Vparam **thee)
	Destroy object.
void	Vparam_dtor2 (Vparam *thee)
	FORTRAN stub to destroy object.
Vparam_ResData *	Vparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN])
	Get residue data.
Vparam_AtomData *	Vparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN])
	Get atom data.
int	Vparam_readFlatFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
	Read a flat-file format parameter database.
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 1350 2009-02-12 00:38:48Z yhuang01

Author:

Nathan A. Baker

Attention:

 *
 * APBS -- Adaptive Poisson-Boltzmann Solver
 *
 * Nathan A. Baker (baker@biochem.wustl.edu)
 * Dept. of Biochemistry and Molecular Biophysics
 * Center for Computational Biology
 * Washington University in St. Louis
 *
 * Additional contributing authors listed in the code documentation.
 *
 * Copyright (c) 2002-2009, Washington University in St. Louis.
 * Portions Copyright (c) 2002-2009.  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
 * list of conditions and the following disclaimer.  
 * 
 * - Redistributions in binary form must reproduce the above copyright notice,
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 * and/or other materials provided with the distribution.
 * 
 * - Neither the name of Washington University in St. Louis nor the names of its
 * contributors may be used to endorse or promote products derived from this
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 * 
 * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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