APBS
1.5
|
Class PBSAMparm methods. More...
#include "pbsamparm.h"
Go to the source code of this file.
Functions | |
VPUBLIC PBSAMparm * | PBSAMparm_ctor (PBSAMparm_CalcType type) |
Construct PBSAMparm object. More... | |
VPUBLIC Vrc_Codes | PBSAMparm_ctor2 (PBSAMparm *thee, PBSAMparm_CalcType type) |
FORTRAN stub to construct PBSAMparm object ?????????!!!!!!! More... | |
VPUBLIC void | PBSAMparm_dtor (PBSAMparm **thee) |
Object destructor. More... | |
VPUBLIC void | PBSAMparm_dtor2 (PBSAMparm *thee) |
FORTRAN stub for object destructor ?????????!!!!!!!!!!!! More... | |
VPUBLIC Vrc_Codes | PBSAMparm_check (PBSAMparm *thee) |
Consistency check for parameter values stored in object. More... | |
VPUBLIC void | PBSAMparm_copy (PBSAMparm *thee, PBSAMparm *parm) |
copy PBSAMparm object int thee. More... | |
VPRIVATE Vrc_Codes | PBSAMparm_parseSurf (PBSAMparm *thee, Vio *sock) |
Find vertex files for each molecule and save them. More... | |
VPRIVATE Vrc_Codes | PBSAMparm_parseMSMS (PBSAMparm *thee, Vio *sock) |
Find msms flag for if MSMS is to be run. More... | |
VPRIVATE Vrc_Codes | PBSAMparm_parseImat (PBSAMparm *thee, Vio *sock) |
Find IMAT files for each molecule and save them. More... | |
VPRIVATE Vrc_Codes | PBSAMparm_parseExp (PBSAMparm *thee, Vio *sock) |
Find expansion files for each molecule and save them. More... | |
VPRIVATE Vrc_Codes | PBSAMparm_parseTolsp (PBSAMparm *thee, Vio *sock) |
Find sphere tolerance for coarse-graining. More... | |
VPUBLIC Vrc_Codes | PBSAMparm_parseToken (PBSAMparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
Parse an MG keyword from an input file. More... | |
Class PBSAMparm 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 pbsamparm.c.