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vparam.h File Reference

Contains declarations for class Vparam. More...

#include "maloc/maloc.h"
#include "apbs/vhal.h"
#include "apbs/vunit.h"
#include "apbs/vstring.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_AtomDataVparam_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_ResDataVparam_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.

VparamVparam_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_ResDataVparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN])
 Get residue data.

Vparam_AtomDataVparam_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.


Detailed Description

Contains declarations for class Vparam.

Version:
Id
vparam.h 1046 2007-01-02 16:58:40Z sobolevnrm
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) 2002-2007.  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 
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 * Note that people who make modified versions of APBS are not obligated
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