#include "maloc/maloc.h"
#include "apbs/vhal.h"
#include "apbs/vunit.h"
#include "apbs/vstring.h"
Include dependency graph for vparam.h:
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Data Structures | |
struct | sVparam_AtomData |
AtomData sub-class; stores atom data. More... | |
struct | Vparam |
Reads and assigns charge/radii parameters. More... | |
struct | Vparam_ResData |
ResData sub-class; stores residue data. More... | |
Typedefs | |
typedef sVparam_AtomData | Vparam_AtomData |
Declaration of the Vparam_AtomData class as the sVparam_AtomData structure. | |
typedef Vparam_ResData | Vparam_ResData |
Declaration of the Vparam_ResData class as the Vparam_ResData structure. | |
typedef Vparam | Vparam |
Declaration of the Vparam class as the Vparam structure. | |
Functions | |
unsigned long int | Vparam_memChk (Vparam *thee) |
Get number of bytes in this object and its members. | |
Vparam_AtomData * | Vparam_AtomData_ctor () |
Construct the object. | |
int | Vparam_AtomData_ctor2 (Vparam_AtomData *thee) |
FORTRAN stub to construct the object. | |
void | Vparam_AtomData_dtor (Vparam_AtomData **thee) |
Destroy object. | |
void | Vparam_AtomData_dtor2 (Vparam_AtomData *thee) |
FORTRAN stub to destroy object. | |
void | Vparam_AtomData_copyTo (Vparam_AtomData *thee, Vparam_AtomData *dest) |
Copy current atom object to destination. | |
void | Vparam_ResData_copyTo (Vparam_ResData *thee, Vparam_ResData *dest) |
Copy current residue object to destination. | |
void | Vparam_AtomData_copyFrom (Vparam_AtomData *thee, Vparam_AtomData *src) |
Copy current atom object from another. | |
Vparam_ResData * | Vparam_ResData_ctor (Vmem *mem) |
Construct the object. | |
int | Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem) |
FORTRAN stub to construct the object. | |
void | Vparam_ResData_dtor (Vparam_ResData **thee) |
Destroy object. | |
void | Vparam_ResData_dtor2 (Vparam_ResData *thee) |
FORTRAN stub to destroy object. | |
Vparam * | Vparam_ctor () |
Construct the object. | |
int | Vparam_ctor2 (Vparam *thee) |
FORTRAN stub to construct the object. | |
void | Vparam_dtor (Vparam **thee) |
Destroy object. | |
void | Vparam_dtor2 (Vparam *thee) |
FORTRAN stub to destroy object. | |
Vparam_ResData * | Vparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN]) |
Get residue data. | |
Vparam_AtomData * | Vparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN]) |
Get atom data. | |
int | Vparam_readFlatFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
Read a flat-file format parameter database. | |
int | Vparam_readXMLFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
Read an XML format parameter database. |
* * 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. * *