#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. | |
* * 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 * *
1.3.5