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valist.c File Reference

Class Valist methods. More...

#include "apbscfg.h"
#include "apbs/valist.h"

Include dependency graph for valist.c:

Include dependency graph

Functions

VPUBLIC double Valist_getCenterX (Valist *thee)
 Get x-coordinate of molecule center.

VPUBLIC double Valist_getCenterY (Valist *thee)
 Get y-coordinate of molecule center.

VPUBLIC double Valist_getCenterZ (Valist *thee)
 Get z-coordinate of molecule center.

VPUBLIC VatomValist_getAtomList (Valist *thee)
 Get actual array of atom objects from the list.

VPUBLIC int Valist_getNumberAtoms (Valist *thee)
 Get number of atoms in the list.

VPUBLIC VatomValist_getAtom (Valist *thee, int i)
 Get pointer to particular atom in list.

VPUBLIC unsigned long int Valist_memChk (Valist *thee)
 Get total memory allocated for this object and its members.

VPUBLIC ValistValist_ctor ()
 Construct the atom list object.

VPUBLIC int Valist_ctor2 (Valist *thee)
 FORTRAN stub to construct the atom list object.

VPUBLIC void Valist_dtor (Valist **thee)
 Destroys atom list object.

VPUBLIC void Valist_dtor2 (Valist *thee)
 FORTRAN stub to destroy atom list object.

VPUBLIC int Valist_readPDB (Valist *thee, Vparam *param, Vio *sock)
 Fill atom list with information from a PDB file.

VPUBLIC int Valist_readPQR (Valist *thee, Vparam *params, Vio *sock)
 Fill atom list with information from a PQR file.

VPUBLIC int Valist_readXML (Valist *thee, Vparam *params, Vio *sock)
 Fill atom list with information from an XML file.

VPUBLIC int Valist_getStatistics (Valist *thee)
 Load up Valist with various statistics.


Detailed Description

Class Valist methods.

Author:
Nathan Baker
Version:
Id
valist.c 1083 2007-03-21 12:47:38Z 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.
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 * This file is part of APBS.
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