#include "apbscfg.h"
#include "apbs/vatom.h"

Functions | |
| VPUBLIC double * | Vatom_getPosition (Vatom *thee) |
| Get atomic position. | |
| VPUBLIC double | Vatom_getPartID (Vatom *thee) |
| Get partition ID. | |
| VPUBLIC void | Vatom_setPartID (Vatom *thee, int partID) |
| Set partition ID. | |
| VPUBLIC double | Vatom_getAtomID (Vatom *thee) |
| Get atom ID. | |
| VPUBLIC void | Vatom_setAtomID (Vatom *thee, int atomID) |
| Set atom ID. | |
| VPUBLIC void | Vatom_setRadius (Vatom *thee, double radius) |
| Set atomic radius. | |
| VPUBLIC double | Vatom_getRadius (Vatom *thee) |
| Get atomic position. | |
| VPUBLIC void | Vatom_setCharge (Vatom *thee, double charge) |
| Set atomic charge. | |
| VPUBLIC double | Vatom_getCharge (Vatom *thee) |
| Get atomic charge. | |
| VPUBLIC unsigned long int | Vatom_memChk (Vatom *thee) |
| Return the memory used by this structure (and its contents) in bytes. | |
| VPUBLIC Vatom * | Vatom_ctor () |
| Constructor for the Vatom class. | |
| VPUBLIC int | Vatom_ctor2 (Vatom *thee) |
| FORTRAN stub constructor for the Vatom class. | |
| VPUBLIC void | Vatom_dtor (Vatom **thee) |
| Object destructor. | |
| VPUBLIC void | Vatom_dtor2 (Vatom *thee) |
| FORTRAN stub object destructor. | |
| VPUBLIC void | Vatom_setPosition (Vatom *thee, double position[3]) |
| Set the atomic position. | |
| VPUBLIC void | Vatom_copyTo (Vatom *thee, Vatom *dest) |
| Copy information to another atom. | |
| VPUBLIC void | Vatom_copyFrom (Vatom *thee, Vatom *src) |
| Copy information to another atom. | |
| VPUBLIC void | Vatom_setResName (Vatom *thee, char resName[VMAX_RECLEN]) |
| Set residue name. | |
| VPUBLIC void | Vatom_getResName (Vatom *thee, char resName[VMAX_RECLEN]) |
| Retrieve residue name. | |
| VPUBLIC void | Vatom_setAtomName (Vatom *thee, char atomName[VMAX_RECLEN]) |
| Set atom name. | |
| VPUBLIC void | Vatom_getAtomName (Vatom *thee, char atomName[VMAX_RECLEN]) |
| Retrieve atom name. | |
* * 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. * *
1.5.7.1