vclist.h File Reference
Contains declarations for class Vclist. More...
#include "maloc/maloc.h"#include "apbs/vhal.h"#include "apbs/valist.h"#include "apbs/vatom.h"#include "apbs/vunit.h"
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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 | |
| unsigned long int | Vclist_memChk (Vclist *thee) |
| Get number of bytes in this object and its members. | |
| double | Vclist_maxRadius (Vclist *thee) |
| Get the max probe radius value (in A) the cell list was constructed with. | |
| Vclist * | Vclist_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. | |
| 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. | |
| void | Vclist_dtor (Vclist **thee) |
| Destroy object. | |
| void | Vclist_dtor2 (Vclist *thee) |
| FORTRAN stub to destroy object. | |
| VclistCell * | Vclist_getCell (Vclist *thee, double position[VAPBS_DIM]) |
| Return cell corresponding to specified position or return VNULL. | |
| VclistCell * | VclistCell_ctor (int natoms) |
| Allocate and construct a cell list cell object. | |
| Vrc_Codes | VclistCell_ctor2 (VclistCell *thee, int natoms) |
| Construct a cell list object. | |
| void | VclistCell_dtor (VclistCell **thee) |
| Destroy object. | |
| void | VclistCell_dtor2 (VclistCell *thee) |
| FORTRAN stub to destroy object. | |
Detailed Description
Contains declarations for class Vclist.
- Version:
- Id
- vclist.h 1350 2009-02-12 00:38:48Z yhuang01
- Attention:
* * APBS -- Adaptive Poisson-Boltzmann Solver * * Nathan A. Baker (baker@biochem.wustl.edu) * Dept. of Biochemistry and Molecular Biophysics * Center for Computational Biology * Washington University in St. Louis * * Additional contributing authors listed in the code documentation. * * Copyright (c) 2002-2009, Washington University in St. Louis. * Portions Copyright (c) 2002-2009. 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 Washington University in St. Louis 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. * *
