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
	Reads and assigns charge/radii parameters. More...
struct	Vparam_ResData
	ResData sub-class; stores residue data. More...
Typedefs
typedef sVparam_AtomData	Vparam_AtomData
	Declaration of the Vparam_AtomData class as the sVparam_AtomData structure.
typedef Vparam_ResData	Vparam_ResData
	Declaration of the Vparam_ResData class as the Vparam_ResData structure.
typedef 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_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.

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Detailed Description

Contains declarations for class Vparam.

Version:

Id

vparam.h,v 2.5 2004/03/09 22:52:52 apbs Exp

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) 2002-2005.  Washington University in St. Louis.
 * All Rights Reserved.
 * Portions Copyright (c) 1999-2002.  The Regents of the University of
 * California.  
 * Portions Copyright (c) 1995.  Michael Holst.
 *
 * This file is part of APBS.
 *
 * APBS is free software; you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation; either version 2 of the License, or
 * (at your option) any later version.
 *
 * APBS is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with APBS; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307  USA
 *
 * 

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