vatom.c File Reference

Class Vatom methods. More...

#include "apbscfg.h"
#include "apbs/vatom.h"

Include dependency graph for vatom.c:

Functions
VPUBLIC double *	Vatom_getPosition (Vatom *thee)
	Get atomic position.
VPUBLIC double	Vatom_getPartID (Vatom *thee)
	Get partition ID.
VPUBLIC void	Vatom_setPartID (Vatom *thee, int partID)
	Set partition ID.
VPUBLIC double	Vatom_getAtomID (Vatom *thee)
	Get atom ID.
VPUBLIC void	Vatom_setAtomID (Vatom *thee, int atomID)
	Set atom ID.
VPUBLIC void	Vatom_setRadius (Vatom *thee, double radius)
	Set atomic radius.
VPUBLIC double	Vatom_getRadius (Vatom *thee)
	Get atomic position.
VPUBLIC void	Vatom_setCharge (Vatom *thee, double charge)
	Set atomic charge.
VPUBLIC double	Vatom_getCharge (Vatom *thee)
	Get atomic charge.
VPUBLIC unsigned long int	Vatom_memChk (Vatom *thee)
	Return the memory used by this structure (and its contents) in bytes.
VPUBLIC Vatom *	Vatom_ctor ()
	Constructor for the Vatom class.
VPUBLIC int	Vatom_ctor2 (Vatom *thee)
	FORTRAN stub constructor for the Vatom class.
VPUBLIC void	Vatom_dtor (Vatom **thee)
	Object destructor.
VPUBLIC void	Vatom_dtor2 (Vatom *thee)
	FORTRAN stub object destructor.
VPUBLIC void	Vatom_setPosition (Vatom *thee, double position[3])
	Set the atomic position.
VPUBLIC void	Vatom_copyTo (Vatom *thee, Vatom *dest)
	Copy information to another atom.
VPUBLIC void	Vatom_copyFrom (Vatom *thee, Vatom *src)
	Copy information to another atom.
VPUBLIC void	Vatom_setResName (Vatom *thee, char resName[VMAX_RECLEN])
	Set residue name.
VPUBLIC void	Vatom_getResName (Vatom *thee, char resName[VMAX_RECLEN])
	Retrieve residue name.
VPUBLIC void	Vatom_setAtomName (Vatom *thee, char atomName[VMAX_RECLEN])
	Set atom name.
VPUBLIC void	Vatom_getAtomName (Vatom *thee, char atomName[VMAX_RECLEN])
	Retrieve atom name.

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Detailed Description

Class Vatom methods.

Author:

Nathan Baker

Version:

Id

vatom.c 1350 2009-02-12 00:38:48Z yhuang01

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,
 * this list of conditions and the following disclaimer in the documentation
 * 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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 * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
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