APBS
1.5
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Contains declarations for class Vparam. More...
#include "apbscfg.h"
#include "maloc/maloc.h"
#include "mc/mc.h"
#include "generic/vhal.h"
#include "generic/vunit.h"
#include "generic/vstring.h"
Go to the source code of this file.
Data Structures | |
struct | sVparam_AtomData |
AtomData sub-class; stores atom data. More... | |
struct | Vparam_ResData |
ResData sub-class; stores residue data. More... | |
struct | Vparam |
Reads and assigns charge/radii parameters. More... | |
Typedefs | |
typedef struct sVparam_AtomData | Vparam_AtomData |
Declaration of the Vparam_AtomData class as the sVparam_AtomData structure. | |
typedef struct Vparam_ResData | Vparam_ResData |
Declaration of the Vparam_ResData class as the Vparam_ResData structure. | |
typedef struct Vparam | Vparam |
Declaration of the Vparam class as the Vparam structure. | |
Functions | |
VEXTERNC unsigned long int | Vparam_memChk (Vparam *thee) |
Get number of bytes in this object and its members. More... | |
VEXTERNC Vparam_AtomData * | Vparam_AtomData_ctor () |
Construct the object. More... | |
VEXTERNC int | Vparam_AtomData_ctor2 (Vparam_AtomData *thee) |
FORTRAN stub to construct the object. More... | |
VEXTERNC void | Vparam_AtomData_dtor (Vparam_AtomData **thee) |
Destroy object. More... | |
VEXTERNC void | Vparam_AtomData_dtor2 (Vparam_AtomData *thee) |
FORTRAN stub to destroy object. More... | |
VEXTERNC void | Vparam_AtomData_copyTo (Vparam_AtomData *thee, Vparam_AtomData *dest) |
Copy current atom object to destination. More... | |
VEXTERNC void | Vparam_ResData_copyTo (Vparam_ResData *thee, Vparam_ResData *dest) |
Copy current residue object to destination. More... | |
VEXTERNC void | Vparam_AtomData_copyFrom (Vparam_AtomData *thee, Vparam_AtomData *src) |
Copy current atom object from another. More... | |
VEXTERNC Vparam_ResData * | Vparam_ResData_ctor (Vmem *mem) |
Construct the object. More... | |
VEXTERNC int | Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem) |
FORTRAN stub to construct the object. More... | |
VEXTERNC void | Vparam_ResData_dtor (Vparam_ResData **thee) |
Destroy object. More... | |
VEXTERNC void | Vparam_ResData_dtor2 (Vparam_ResData *thee) |
FORTRAN stub to destroy object. More... | |
VEXTERNC Vparam * | Vparam_ctor () |
Construct the object. More... | |
VEXTERNC int | Vparam_ctor2 (Vparam *thee) |
FORTRAN stub to construct the object. More... | |
VEXTERNC void | Vparam_dtor (Vparam **thee) |
Destroy object. More... | |
VEXTERNC void | Vparam_dtor2 (Vparam *thee) |
FORTRAN stub to destroy object. More... | |
VEXTERNC Vparam_ResData * | Vparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN]) |
Get residue data. More... | |
VEXTERNC Vparam_AtomData * | Vparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN]) |
Get atom data. More... | |
VEXTERNC int | Vparam_readFlatFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
Read a flat-file format parameter database. More... | |
VEXTERNC int | Vparam_readXMLFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
Read an XML format parameter database. More... | |
Contains declarations for class Vparam.
* * 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) 2010-2014 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 vparam.h.