vcsm.h File Reference

Contains declarations for the Vcsm class. More...

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

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Data Structures
struct	sVcsm
	Charge-simplex map class. More...
Typedefs
typedef sVcsm	Vcsm
	Declaration of the Vcsm class as the Vcsm structure.
Functions
void	Gem_setExternalUpdateFunction (Gem *thee, void(*externalUpdate)(SS **simps, int num))
	External function for FEtk Gem class to use during mesh refinement.
Valist *	Vcsm_getValist (Vcsm *thee)
	Get atom list.
int	Vcsm_getNumberAtoms (Vcsm *thee, int isimp)
	Get number of atoms associated with a simplex.
Vatom *	Vcsm_getAtom (Vcsm *thee, int iatom, int isimp)
	Get particular atom associated with a simplex.
int	Vcsm_getAtomIndex (Vcsm *thee, int iatom, int isimp)
	Get ID of particular atom in a simplex.
int	Vcsm_getNumberSimplices (Vcsm *thee, int iatom)
	Get number of simplices associated with an atom.
SS *	Vcsm_getSimplex (Vcsm *thee, int isimp, int iatom)
	Get particular simplex associated with an atom.
int	Vcsm_getSimplexIndex (Vcsm *thee, int isimp, int iatom)
	Get index particular simplex associated with an atom.
unsigned long int	Vcsm_memChk (Vcsm *thee)
	Return the memory used by this structure (and its contents) in bytes.
Vcsm *	Vcsm_ctor (Valist *alist, Gem *gm)
	Construct Vcsm object.
int	Vcsm_ctor2 (Vcsm *thee, Valist *alist, Gem *gm)
	FORTRAN stub to construct Vcsm object.
void	Vcsm_dtor (Vcsm **thee)
	Destroy Vcsm object.
void	Vcsm_dtor2 (Vcsm *thee)
	FORTRAN stub to destroy Vcsm object.
void	Vcsm_init (Vcsm *thee)
	Initialize charge-simplex map with mesh and atom data.
int	Vcsm_update (Vcsm *thee, SS **simps, int num)
	Update the charge-simplex and simplex-charge maps after refinement.

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Detailed Description

Contains declarations for the Vcsm class.

Version:

Id

vcsm.h,v 2.17 2004/04/20 12:58:36 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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