#include "apbscfg.h"
#include "apbs/apbs.h"
#include "apbs/vhal.h"
#include "apbs/mgparm.h"
#include "apbs/vstring.h"
Include dependency graph for mgparm.c:
Functions | |
VPUBLIC void | MGparm_setCenterX (MGparm *thee, double x) |
Set center x-coordinate. | |
VPUBLIC void | MGparm_setCenterY (MGparm *thee, double y) |
Set center y-coordinate. | |
VPUBLIC void | MGparm_setCenterZ (MGparm *thee, double z) |
Set center z-coordinate. | |
VPUBLIC double | MGparm_getCenterX (MGparm *thee) |
Get center x-coordinate. | |
VPUBLIC double | MGparm_getCenterY (MGparm *thee) |
Get center y-coordinate. | |
VPUBLIC double | MGparm_getCenterZ (MGparm *thee) |
Get center z-coordinate. | |
VPUBLIC int | MGparm_getNx (MGparm *thee) |
Get number of grid points in x direction. | |
VPUBLIC int | MGparm_getNy (MGparm *thee) |
Get number of grid points in y direction. | |
VPUBLIC int | MGparm_getNz (MGparm *thee) |
Get number of grid points in z direction. | |
VPUBLIC double | MGparm_getHx (MGparm *thee) |
Get grid spacing in x direction (Å). | |
VPUBLIC double | MGparm_getHy (MGparm *thee) |
Get grid spacing in y direction (Å). | |
VPUBLIC double | MGparm_getHz (MGparm *thee) |
Get grid spacing in z direction (Å). | |
VPUBLIC MGparm * | MGparm_ctor (MGparm_CalcType type) |
Construct MGparm object. | |
VPUBLIC int | MGparm_ctor2 (MGparm *thee, MGparm_CalcType type) |
FORTRAN stub to construct MGparm object. | |
VPUBLIC void | MGparm_dtor (MGparm **thee) |
Object destructor. | |
VPUBLIC void | MGparm_dtor2 (MGparm *thee) |
FORTRAN stub for object destructor. | |
VPUBLIC int | MGparm_check (MGparm *thee) |
Consistency check for parameter values stored in object. | |
VPUBLIC void | MGparm_copy (MGparm *thee, MGparm *parm) |
Copy MGparm object into thee. | |
VPUBLIC int | MGparm_parseToken (MGparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
Parse an MG keyword from an input file. |
* * 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) 2002-2007. 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 * * Linking APBS statically or dynamically with other modules is making a * combined work based on APBS. Thus, the terms and conditions of the GNU * General Public License cover the whole combination. * * SPECIAL GPL EXCEPTION * In addition, as a special exception, the copyright holders of APBS * give you permission to combine the APBS program with free software * programs and libraries that are released under the GNU LGPL or with * code included in releases of ISIM, Ion Simulator Interface, PMV, PyMOL * SMOL, VMD, and Vision. Such combined software may be linked with APBS and * redistributed together in original or modified form as mere aggregation * without requirement that the entire work be under the scope of the GNU * General Public License. This special exception permission is also extended * to any software listed in the SPECIAL GPL EXCEPTION clauses by the PMG, * FEtk, MC, or MALOC libraries. * * Note that people who make modified versions of APBS are not obligated * to grant this special exception for their modified versions; it is * their choice whether to do so. The GNU General Public License gives * permission to release a modified version without this exception; this * exception also makes it possible to release a modified version which * carries forward this exception. * *