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vparam.c File Reference

Class Vparam methods. More...

#include "apbscfg.h"
#include "apbs/vparam.h"
#include "mc/mc.h"

Include dependency graph for vparam.c:

Include dependency graph

Functions

VPRIVATE int readFlatFileLine (Vio *sock, Vparam_AtomData *atom)
 Read a single line of the flat file database.

VPRIVATE int readXMLFileAtom (Vio *sock, Vparam_AtomData *atom)
 Read atom information from an XML file.

VPUBLIC unsigned long int Vparam_memChk (Vparam *thee)
 Get number of bytes in this object and its members.

VPUBLIC Vparam_AtomDataVparam_AtomData_ctor ()
 Construct the object.

VPUBLIC int Vparam_AtomData_ctor2 (Vparam_AtomData *thee)
 FORTRAN stub to construct the object.

VPUBLIC void Vparam_AtomData_dtor (Vparam_AtomData **thee)
 Destroy object.

VPUBLIC void Vparam_AtomData_dtor2 (Vparam_AtomData *thee)
 FORTRAN stub to destroy object.

VPUBLIC Vparam_ResDataVparam_ResData_ctor (Vmem *mem)
 Construct the object.

VPUBLIC int Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem)
 FORTRAN stub to construct the object.

VPUBLIC void Vparam_ResData_dtor (Vparam_ResData **thee)
 Destroy object.

VPUBLIC void Vparam_ResData_dtor2 (Vparam_ResData *thee)
 FORTRAN stub to destroy object.

VPUBLIC VparamVparam_ctor ()
 Construct the object.

VPUBLIC int Vparam_ctor2 (Vparam *thee)
 FORTRAN stub to construct the object.

VPUBLIC void Vparam_dtor (Vparam **thee)
 Destroy object.

VPUBLIC void Vparam_dtor2 (Vparam *thee)
 FORTRAN stub to destroy object.

VPUBLIC Vparam_ResDataVparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN])
 Get residue data.

VPUBLIC Vparam_AtomDataVparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN])
 Get atom data.

VPUBLIC int Vparam_readXMLFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
 Read an XML format parameter database.

VPUBLIC int Vparam_readFlatFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname)
 Read a flat-file format parameter database.

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.


Variables

VPRIVATE char * MCwhiteChars = " =,;\t\n\r"
 Whitespace characters for socket reads.

VPRIVATE char * MCcommChars = "#%"
 Comment characters for socket reads.

VPRIVATE char * MCxmlwhiteChars = " =,;\t\n\r<>"
 Whitespace characters for XML socket reads.


Detailed Description

Class Vparam methods.

Author:
Nathan Baker
Version:
Id
vparam.c 1046 2007-01-02 16:58:40Z sobolevnrm
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 
 * 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.
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 * Note that people who make modified versions of APBS are not obligated
 * to grant this special exception for their modified versions; it is
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