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:

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_AtomData *	Vparam_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_ResData *	Vparam_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 Vparam *	Vparam_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_ResData *	Vparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN])
	Get residue data.
VPUBLIC Vparam_AtomData *	Vparam_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 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.  
 * 
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 * 
 * - Neither the name of Washington University in St. Louis nor the names of its
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 * 
 * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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