APBS 3.0.0
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valist.h File Reference

Contains declarations for class Valist. More...

#include "apbscfg.h"
#include "maloc/maloc.h"
#include "generic/vhal.h"
#include "generic/vatom.h"
#include "generic/vparam.h"
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Go to the source code of this file.

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

VEXTERNC VatomValist_getAtomList (Valist *thee)
 Get actual array of atom objects from the list.
 
VEXTERNC double Valist_getCenterX (Valist *thee)
 Get x-coordinate of molecule center.
 
VEXTERNC double Valist_getCenterY (Valist *thee)
 Get y-coordinate of molecule center.
 
VEXTERNC double Valist_getCenterZ (Valist *thee)
 Get z-coordinate of molecule center.
 
VEXTERNC int Valist_getNumberAtoms (Valist *thee)
 Get number of atoms in the list.
 
VEXTERNC VatomValist_getAtom (Valist *thee, int i)
 Get pointer to particular atom in list.
 
VEXTERNC unsigned long int Valist_memChk (Valist *thee)
 Get total memory allocated for this object and its members.
 
VEXTERNC ValistValist_ctor ()
 Construct the atom list object.
 
VEXTERNC Vrc_Codes Valist_ctor2 (Valist *thee)
 FORTRAN stub to construct the atom list object.
 
VEXTERNC void Valist_dtor (Valist **thee)
 Destroys atom list object.
 
VEXTERNC void Valist_dtor2 (Valist *thee)
 FORTRAN stub to destroy atom list object.
 
VEXTERNC Vrc_Codes Valist_readPQR (Valist *thee, Vparam *param, Vio *sock)
 Fill atom list with information from a PQR file.
 
VEXTERNC Vrc_Codes Valist_readPDB (Valist *thee, Vparam *param, Vio *sock)
 Fill atom list with information from a PDB file.
 
VEXTERNC Vrc_Codes Valist_readXML (Valist *thee, Vparam *param, Vio *sock)
 Fill atom list with information from an XML file.
 
VEXTERNC Vrc_Codes Valist_getStatistics (Valist *thee)
 Load up Valist with various statistics.
 

Detailed Description

Contains declarations for class Valist.

Version
$Id$
Author
Nathan A. Baker
Attention
*
* APBS -- Adaptive Poisson-Boltzmann Solver
*
*  Nathan A. Baker (nathan.baker@pnnl.gov)
*  Pacific Northwest National Laboratory
*
*  Additional contributing authors listed in the code documentation.
*
* Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the
* Pacific Northwest National Laboratory, operated by Battelle Memorial
* Institute, Pacific Northwest Division for the U.S. Department of Energy.
*
* Portions Copyright (c) 2002-2010, Washington University in St. Louis.
* Portions Copyright (c) 2002-2010, 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.
*
* Redistributions in binary form must reproduce the above copyright notice,
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*
* Neither the name of the developer nor the names of its contributors may be
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*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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Definition in file valist.h.