APBS
1.4.1
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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"
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 Vatom * | Valist_getAtomList (Valist *thee) |
Get actual array of atom objects from the list. More... | |
VEXTERNC double | Valist_getCenterX (Valist *thee) |
Get x-coordinate of molecule center. More... | |
VEXTERNC double | Valist_getCenterY (Valist *thee) |
Get y-coordinate of molecule center. More... | |
VEXTERNC double | Valist_getCenterZ (Valist *thee) |
Get z-coordinate of molecule center. More... | |
VEXTERNC int | Valist_getNumberAtoms (Valist *thee) |
Get number of atoms in the list. More... | |
VEXTERNC Vatom * | Valist_getAtom (Valist *thee, int i) |
Get pointer to particular atom in list. More... | |
VEXTERNC unsigned long int | Valist_memChk (Valist *thee) |
Get total memory allocated for this object and its members. More... | |
VEXTERNC Valist * | Valist_ctor () |
Construct the atom list object. More... | |
VEXTERNC Vrc_Codes | Valist_ctor2 (Valist *thee) |
FORTRAN stub to construct the atom list object. More... | |
VEXTERNC void | Valist_dtor (Valist **thee) |
Destroys atom list object. More... | |
VEXTERNC void | Valist_dtor2 (Valist *thee) |
FORTRAN stub to destroy atom list object. More... | |
VEXTERNC Vrc_Codes | Valist_readPQR (Valist *thee, Vparam *param, Vio *sock) |
Fill atom list with information from a PQR file. More... | |
VEXTERNC Vrc_Codes | Valist_readPDB (Valist *thee, Vparam *param, Vio *sock) |
Fill atom list with information from a PDB file. More... | |
VEXTERNC Vrc_Codes | Valist_readXML (Valist *thee, Vparam *param, Vio *sock) |
Fill atom list with information from an XML file. More... | |
VEXTERNC Vrc_Codes | Valist_getStatistics (Valist *thee) |
Load up Valist with various statistics. More... | |
Contains declarations for class Valist.
* * 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) 2010-2012 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, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * Neither the name of the developer nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF * THE POSSIBILITY OF SUCH DAMAGE. * *
Definition in file valist.h.