APBS 3.0.0
Loading...
Searching...
No Matches
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:
This graph shows which files directly or indirectly include this file:

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
 
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.
 
VEXTERNC double Vclist_maxRadius (Vclist *thee)
 Get the max probe radius value (in A) the cell list was constructed with.
 
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.
 
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.
 
VEXTERNC void Vclist_dtor (Vclist **thee)
 Destroy object.
 
VEXTERNC void Vclist_dtor2 (Vclist *thee)
 FORTRAN stub to destroy object.
 
VEXTERNC VclistCellVclist_getCell (Vclist *thee, double position[VAPBS_DIM])
 Return cell corresponding to specified position or return VNULL.
 
VEXTERNC VclistCellVclistCell_ctor (int natoms)
 Allocate and construct a cell list cell object.
 
VEXTERNC Vrc_Codes VclistCell_ctor2 (VclistCell *thee, int natoms)
 Construct a cell list object.
 
VEXTERNC void VclistCell_dtor (VclistCell **thee)
 Destroy object.
 
VEXTERNC void VclistCell_dtor2 (VclistCell *thee)
 FORTRAN stub to destroy object.
 

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) 2010-2020 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,
* 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 vclist.h.

Typedef Documentation

◆ Vclist_DomainMode

typedef enum eVclist_DomainMode Vclist_DomainMode

Definition at line 94 of file vclist.h.