APBS
1.5
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Class PBEparm methods. More...
#include "pbeparm.h"
Go to the source code of this file.
Functions | |
VPUBLIC double | PBEparm_getIonCharge (PBEparm *thee, int i) |
Get charge (e) of specified ion species. More... | |
VPUBLIC double | PBEparm_getIonConc (PBEparm *thee, int i) |
Get concentration (M) of specified ion species. More... | |
VPUBLIC double | PBEparm_getIonRadius (PBEparm *thee, int i) |
Get radius (A) of specified ion species. More... | |
VPUBLIC double | PBEparm_getzmem (PBEparm *thee) |
VPUBLIC double | PBEparm_getLmem (PBEparm *thee) |
VPUBLIC double | PBEparm_getmembraneDiel (PBEparm *thee) |
VPUBLIC double | PBEparm_getmemv (PBEparm *thee) |
VPUBLIC PBEparm * | PBEparm_ctor () |
Construct PBEparm object. More... | |
VPUBLIC int | PBEparm_ctor2 (PBEparm *thee) |
FORTRAN stub to construct PBEparm object. More... | |
VPUBLIC void | PBEparm_dtor (PBEparm **thee) |
Object destructor. More... | |
VPUBLIC void | PBEparm_dtor2 (PBEparm *thee) |
FORTRAN stub for object destructor. More... | |
VPUBLIC int | PBEparm_check (PBEparm *thee) |
Consistency check for parameter values stored in object. More... | |
VPUBLIC void | PBEparm_copy (PBEparm *thee, PBEparm *parm) |
Copy PBEparm object into thee. More... | |
VPRIVATE int | PBEparm_parseLPBE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseNPBE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseMOL (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseLRPBE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseNRPBE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseSMPBE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseBCFL (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseION (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parsePDIE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseSDENS (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseSDIE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseSRFM (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseSRAD (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseSWIN (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseTEMP (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseUSEMAP (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseCALCENERGY (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseCALCFORCE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseZMEM (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseLMEM (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseMDIE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseMEMV (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseWRITE (PBEparm *thee, Vio *sock) |
VPRIVATE int | PBEparm_parseWRITEMAT (PBEparm *thee, Vio *sock) |
VPUBLIC int | PBEparm_parseToken (PBEparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
Parse a keyword from an input file. More... | |
Class PBEparm methods.
* * 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 pbeparm.c.