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 struct 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. | |
Detailed Description
Contains declarations for the Vcsm class.
- Version:
- Id
- vcsm.h 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 * software without specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR * A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR * CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, * EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, * PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR * PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF * LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING * NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS * SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. * *
