vatom.h File Reference

Contains declarations for class Vatom. More...

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

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Data Structures
struct	sVatom
	Contains public data members for Vatom class/module. More...
Typedefs
typedef sVatom	Vatom
	Declaration of the Vatom class as the Vatom structure.
Functions
double *	Vatom_getPosition (Vatom *thee)
	Get atomic position.
void	Vatom_setRadius (Vatom *thee, double radius)
	Set atomic radius.
double	Vatom_getRadius (Vatom *thee)
	Get atomic position.
void	Vatom_setPartID (Vatom *thee, int partID)
	Set partition ID.
double	Vatom_getPartID (Vatom *thee)
	Get partition ID.
void	Vatom_setAtomID (Vatom *thee, int id)
	Set atom ID.
void	Vatom_setCharge (Vatom *thee, double charge)
	Set atomic charge.
double	Vatom_getCharge (Vatom *thee)
	Get atomic charge.
unsigned long int	Vatom_memChk (Vatom *thee)
	Return the memory used by this structure (and its contents) in bytes.
Vatom *	Vatom_ctor ()
	Constructor for the Vatom class.
int	Vatom_ctor2 (Vatom *thee)
	FORTRAN stub constructor for the Vatom class.
void	Vatom_dtor (Vatom **thee)
	Object destructor.
void	Vatom_dtor2 (Vatom *thee)
	FORTRAN stub object destructor.
void	Vatom_setPosition (Vatom *thee, double position[3])
	Set the atomic position.
void	Vatom_copyTo (Vatom *thee, Vatom *dest)
	Copy information to another atom.
void	Vatom_copyFrom (Vatom *thee, Vatom *src)
	Copy information to another atom.

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Detailed Description

Contains declarations for class Vatom.

Version:

Id

vatom.h,v 2.23 2005/05/11 14:30:59 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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