APBS  1.5
vclist.h File Reference

Contains declarations for class Vclist. More...

#include "apbscfg.h"
#include "maloc/maloc.h"
#include "mc/mc.h"
#include "generic/vhal.h"
#include "generic/valist.h"
#include "generic/vatom.h"
#include "generic/vunit.h"
Include dependency graph for vclist.h:
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Go to the source code of this file.

Data Structures

struct  sVclistCell
 Atom cell list cell. More...
 
struct  sVclist
 Atom cell list. More...
 

Typedefs

typedef enum eVclist_DomainMode Vclist_DomainMode
 Declaration of Vclist_DomainMode enumeration type.
 
typedef struct sVclistCell VclistCell
 Declaration of the VclistCell class as the VclistCell structure.
 
typedef struct sVclist Vclist
 Declaration of the Vclist class as the Vclist structure.
 

Enumerations

enum  eVclist_DomainMode { CLIST_AUTO_DOMAIN, CLIST_MANUAL_DOMAIN }
 Atom cell list domain setup mode. More...
 

Functions

VEXTERNC unsigned long int Vclist_memChk (Vclist *thee)
 Get number of bytes in this object and its members. More...
 
VEXTERNC double Vclist_maxRadius (Vclist *thee)
 Get the max probe radius value (in A) the cell list was constructed with. More...
 
VEXTERNC VclistVclist_ctor (Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM])
 Construct the cell list object. More...
 
VEXTERNC Vrc_Codes Vclist_ctor2 (Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM])
 FORTRAN stub to construct the cell list object. More...
 
VEXTERNC void Vclist_dtor (Vclist **thee)
 Destroy object. More...
 
VEXTERNC void Vclist_dtor2 (Vclist *thee)
 FORTRAN stub to destroy object. More...
 
VEXTERNC VclistCellVclist_getCell (Vclist *thee, double position[VAPBS_DIM])
 Return cell corresponding to specified position or return VNULL. More...
 
VEXTERNC VclistCellVclistCell_ctor (int natoms)
 Allocate and construct a cell list cell object. More...
 
VEXTERNC Vrc_Codes VclistCell_ctor2 (VclistCell *thee, int natoms)
 Construct a cell list object. More...
 
VEXTERNC void VclistCell_dtor (VclistCell **thee)
 Destroy object. More...
 
VEXTERNC void VclistCell_dtor2 (VclistCell *thee)
 FORTRAN stub to destroy object. More...
 

Detailed Description

Contains declarations for class Vclist.

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) 2010-2014 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
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Definition in file vclist.h.