vclist.h File Reference

Contains declarations for class Vclist. More...

#include "maloc/maloc.h"
#include "apbs/vhal.h"
#include "apbs/valist.h"
#include "apbs/vatom.h"
#include "apbs/vunit.h"

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Data Structures
struct	sVclist
	Atom cell list. More...
struct	sVclistCell
	Atom cell list cell. More...
Typedefs
typedef enum eVclist_DomainMode	Vclist_DomainMode
	Declaration of Vclist_DomainMode enumeration type.
typedef sVclistCell	VclistCell
	Declaration of the VclistCell class as the VclistCell structure.
typedef sVclist	Vclist
	Declaration of the Vclist class as the Vclist structure.
Enumerations
enum	eVclist_DomainMode {   CLIST_AUTO_DOMAIN,   CLIST_MANUAL_DOMAIN }
	Atom cell list domain setup mode. More...
Functions
unsigned long int	Vclist_memChk (Vclist *thee)
	Get number of bytes in this object and its members.
double	Vclist_maxRadius (Vclist *thee)
	Get the max probe radius value (in A) the cell list was constructed with.
Vclist *	Vclist_ctor (Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM])
	Construct the cell list object.
int	Vclist_ctor2 (Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM])
	FORTRAN stub to construct the cell list object.
void	Vclist_dtor (Vclist **thee)
	Destroy object.
void	Vclist_dtor2 (Vclist *thee)
	FORTRAN stub to destroy object.
VclistCell *	Vclist_getCell (Vclist *thee, double position[VAPBS_DIM])
	Return cell corresponding to specified position or return VNULL.
VclistCell *	VclistCell_ctor (int natoms)
	Allocate and construct a cell list cell object.
int	VclistCell_ctor2 (VclistCell *thee, int natoms)
	Construct a cell list object.
void	VclistCell_dtor (VclistCell **thee)
	Destroy object.
void	VclistCell_dtor2 (VclistCell *thee)
	FORTRAN stub to destroy object.

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Detailed Description

Contains declarations for class Vclist.

Version:

Id

vclist.h,v 1.2 2005/05/06 10:45:04 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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