valist.h File Reference

Contains declarations for class Valist. More...

#include "maloc/maloc.h"
#include "apbs/vhal.h"
#include "apbs/vatom.h"
#include "apbs/vparam.h"

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Data Structures
struct	sValist
	Container class for list of atom objects. More...
Typedefs
typedef struct sValist	Valist
	Declaration of the Valist class as the Valist structure.
Functions
Vatom *	Valist_getAtomList (Valist *thee)
	Get actual array of atom objects from the list.
double	Valist_getCenterX (Valist *thee)
	Get x-coordinate of molecule center.
double	Valist_getCenterY (Valist *thee)
	Get y-coordinate of molecule center.
double	Valist_getCenterZ (Valist *thee)
	Get z-coordinate of molecule center.
int	Valist_getNumberAtoms (Valist *thee)
	Get number of atoms in the list.
Vatom *	Valist_getAtom (Valist *thee, int i)
	Get pointer to particular atom in list.
unsigned long int	Valist_memChk (Valist *thee)
	Get total memory allocated for this object and its members.
Valist *	Valist_ctor ()
	Construct the atom list object.
Vrc_Codes	Valist_ctor2 (Valist *thee)
	FORTRAN stub to construct the atom list object.
void	Valist_dtor (Valist **thee)
	Destroys atom list object.
void	Valist_dtor2 (Valist *thee)
	FORTRAN stub to destroy atom list object.
Vrc_Codes	Valist_readPQR (Valist *thee, Vparam *param, Vio *sock)
	Fill atom list with information from a PQR file.
Vrc_Codes	Valist_readPDB (Valist *thee, Vparam *param, Vio *sock)
	Fill atom list with information from a PDB file.
Vrc_Codes	Valist_readXML (Valist *thee, Vparam *param, Vio *sock)
	Fill atom list with information from an XML file.
Vrc_Codes	Valist_getStatistics (Valist *thee)
	Load up Valist with various statistics.

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Detailed Description

Contains declarations for class Valist.

Version:

Id

valist.h 1350 2009-02-12 00:38:48Z yhuang01

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) 2002-2009, 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: 
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