APBS 3.0.0
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pbeparm.c File Reference

Class PBEparm methods. More...

#include "pbeparm.h"
Include dependency graph for pbeparm.c:

Go to the source code of this file.

Functions

VPUBLIC double PBEparm_getIonCharge (PBEparm *thee, int i)
 Get charge (e) of specified ion species.
 
VPUBLIC double PBEparm_getIonConc (PBEparm *thee, int i)
 Get concentration (M) of specified ion species.
 
VPUBLIC double PBEparm_getIonRadius (PBEparm *thee, int i)
 Get radius (A) of specified ion species.
 
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 PBEparmPBEparm_ctor ()
 Construct PBEparm object.
 
VPUBLIC int PBEparm_ctor2 (PBEparm *thee)
 FORTRAN stub to construct PBEparm object.
 
VPUBLIC void PBEparm_dtor (PBEparm **thee)
 Object destructor.
 
VPUBLIC void PBEparm_dtor2 (PBEparm *thee)
 FORTRAN stub for object destructor.
 
VPUBLIC int PBEparm_check (PBEparm *thee)
 Consistency check for parameter values stored in object.
 
VPUBLIC void PBEparm_copy (PBEparm *thee, PBEparm *parm)
 Copy PBEparm object into thee.
 
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.
 

Detailed Description

Class PBEparm methods.

Author
Nathan Baker
Version
$Id$
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) 2002-2020, 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.

Function Documentation

◆ PBEparm_getLmem()

VPUBLIC double PBEparm_getLmem ( PBEparm * thee)

Definition at line 91 of file pbeparm.c.

◆ PBEparm_getmembraneDiel()

VPUBLIC double PBEparm_getmembraneDiel ( PBEparm * thee)

Definition at line 95 of file pbeparm.c.

◆ PBEparm_getmemv()

VPUBLIC double PBEparm_getmemv ( PBEparm * thee)

Definition at line 99 of file pbeparm.c.

◆ PBEparm_getzmem()

VPUBLIC double PBEparm_getzmem ( PBEparm * thee)

Definition at line 87 of file pbeparm.c.

◆ PBEparm_parseBCFL()

VPRIVATE int PBEparm_parseBCFL ( PBEparm * thee,
Vio * sock )

Definition at line 474 of file pbeparm.c.

◆ PBEparm_parseCALCENERGY()

VPRIVATE int PBEparm_parseCALCENERGY ( PBEparm * thee,
Vio * sock )

Definition at line 895 of file pbeparm.c.

◆ PBEparm_parseCALCFORCE()

VPRIVATE int PBEparm_parseCALCFORCE ( PBEparm * thee,
Vio * sock )

Definition at line 948 of file pbeparm.c.

◆ PBEparm_parseION()

VPRIVATE int PBEparm_parseION ( PBEparm * thee,
Vio * sock )

Definition at line 555 of file pbeparm.c.

◆ PBEparm_parseLMEM()

VPRIVATE int PBEparm_parseLMEM ( PBEparm * thee,
Vio * sock )

Definition at line 1025 of file pbeparm.c.

◆ PBEparm_parseLPBE()

VPRIVATE int PBEparm_parseLPBE ( PBEparm * thee,
Vio * sock )

Definition at line 368 of file pbeparm.c.

◆ PBEparm_parseLRPBE()

VPRIVATE int PBEparm_parseLRPBE ( PBEparm * thee,
Vio * sock )

Definition at line 401 of file pbeparm.c.

◆ PBEparm_parseMDIE()

VPRIVATE int PBEparm_parseMDIE ( PBEparm * thee,
Vio * sock )

Definition at line 1044 of file pbeparm.c.

◆ PBEparm_parseMEMV()

VPRIVATE int PBEparm_parseMEMV ( PBEparm * thee,
Vio * sock )

Definition at line 1063 of file pbeparm.c.

◆ PBEparm_parseMOL()

VPRIVATE int PBEparm_parseMOL ( PBEparm * thee,
Vio * sock )

Definition at line 382 of file pbeparm.c.

◆ PBEparm_parseNPBE()

VPRIVATE int PBEparm_parseNPBE ( PBEparm * thee,
Vio * sock )

Definition at line 375 of file pbeparm.c.

◆ PBEparm_parseNRPBE()

VPRIVATE int PBEparm_parseNRPBE ( PBEparm * thee,
Vio * sock )

Definition at line 408 of file pbeparm.c.

◆ PBEparm_parsePDIE()

VPRIVATE int PBEparm_parsePDIE ( PBEparm * thee,
Vio * sock )

Definition at line 652 of file pbeparm.c.

◆ PBEparm_parseSDENS()

VPRIVATE int PBEparm_parseSDENS ( PBEparm * thee,
Vio * sock )

Definition at line 671 of file pbeparm.c.

◆ PBEparm_parseSDIE()

VPRIVATE int PBEparm_parseSDIE ( PBEparm * thee,
Vio * sock )

Definition at line 690 of file pbeparm.c.

◆ PBEparm_parseSMPBE()

VPRIVATE int PBEparm_parseSMPBE ( PBEparm * thee,
Vio * sock )

Definition at line 415 of file pbeparm.c.

◆ PBEparm_parseSRAD()

VPRIVATE int PBEparm_parseSRAD ( PBEparm * thee,
Vio * sock )

Definition at line 780 of file pbeparm.c.

◆ PBEparm_parseSRFM()

VPRIVATE int PBEparm_parseSRFM ( PBEparm * thee,
Vio * sock )

Definition at line 709 of file pbeparm.c.

◆ PBEparm_parseSWIN()

VPRIVATE int PBEparm_parseSWIN ( PBEparm * thee,
Vio * sock )

Definition at line 799 of file pbeparm.c.

◆ PBEparm_parseTEMP()

VPRIVATE int PBEparm_parseTEMP ( PBEparm * thee,
Vio * sock )

Definition at line 818 of file pbeparm.c.

◆ PBEparm_parseUSEMAP()

VPRIVATE int PBEparm_parseUSEMAP ( PBEparm * thee,
Vio * sock )

Definition at line 837 of file pbeparm.c.

◆ PBEparm_parseWRITE()

VPRIVATE int PBEparm_parseWRITE ( PBEparm * thee,
Vio * sock )

Definition at line 1084 of file pbeparm.c.

◆ PBEparm_parseWRITEMAT()

VPRIVATE int PBEparm_parseWRITEMAT ( PBEparm * thee,
Vio * sock )

Definition at line 1178 of file pbeparm.c.

◆ PBEparm_parseZMEM()

VPRIVATE int PBEparm_parseZMEM ( PBEparm * thee,
Vio * sock )

Definition at line 1005 of file pbeparm.c.