valist.h File Reference

Contains declarations for class Valist. More...

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

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Data Structures
struct	sValist
	Container class for list of atom objects. More...
Typedefs
typedef sValist	Valist
	Declaration of the Valist class as the Valist structure.
Functions
Vatom *	Valist_getAtomList (Valist *thee)
	Get actual array of atom objects from the list.
double	Valist_getCenterX (Valist *thee)
	Get x-coordinate of molecule center.
double	Valist_getCenterY (Valist *thee)
	Get y-coordinate of molecule center.
double	Valist_getCenterZ (Valist *thee)
	Get z-coordinate of molecule center.
int	Valist_getNumberAtoms (Valist *thee)
	Get number of atoms in the list.
Vatom *	Valist_getAtom (Valist *thee, int i)
	Get pointer to particular atom in list.
unsigned long int	Valist_memChk (Valist *thee)
	Get total memory allocated for this object and its members.
Valist *	Valist_ctor ()
	Construct the atom list object.
int	Valist_ctor2 (Valist *thee)
	FORTRAN stub to construct the atom list object.
void	Valist_dtor (Valist **thee)
	Destroys atom list object.
void	Valist_dtor2 (Valist *thee)
	FORTRAN stub to destroy atom list object.
int	Valist_readPQR (Valist *thee, Vio *sock)
	Fill atom list with information from a PQR file.
int	Valist_readPDB (Valist *thee, Vparam *param, Vio *sock)
	Fill atom list with information from a PDB file.

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Detailed Description

Contains declarations for class Valist.

Version:

Id

valist.h,v 2.22 2004/04/30 19:04:54 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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