APBS  1.4.1
nosh.c File Reference

Class NOsh methods. More...

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

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Functions

VPRIVATE int NOsh_parseREAD (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parsePRINT (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseELEC (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseAPOLAR (NOsh *thee, Vio *sock)
 
VEXTERNC int NOsh_parseFEM (NOsh *thee, Vio *sock, NOsh_calc *elec)
 
VEXTERNC int NOsh_parseMG (NOsh *thee, Vio *sock, NOsh_calc *elec)
 
VEXTERNC int NOsh_parseAPOL (NOsh *thee, Vio *sock, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcMG (NOsh *thee, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcMGAUTO (NOsh *thee, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcMGMANUAL (NOsh *thee, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcMGPARA (NOsh *thee, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcFEM (NOsh *thee, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcFEMANUAL (NOsh *thee, NOsh_calc *elec)
 
VPRIVATE int NOsh_setupCalcAPOL (NOsh *thee, NOsh_calc *elec)
 
VPUBLIC char * NOsh_getMolpath (NOsh *thee, int imol)
 Returns path to specified molecule. More...
 
VPUBLIC char * NOsh_getDielXpath (NOsh *thee, int imol)
 Returns path to specified x-shifted dielectric map. More...
 
VPUBLIC char * NOsh_getDielYpath (NOsh *thee, int imol)
 Returns path to specified y-shifted dielectric map. More...
 
VPUBLIC char * NOsh_getDielZpath (NOsh *thee, int imol)
 Returns path to specified z-shifted dielectric map. More...
 
VPUBLIC char * NOsh_getKappapath (NOsh *thee, int imol)
 Returns path to specified kappa map. More...
 
VPUBLIC char * NOsh_getPotpath (NOsh *thee, int imol)
 Returns path to specified potential map. More...
 
VPUBLIC char * NOsh_getChargepath (NOsh *thee, int imol)
 Returns path to specified charge distribution map. More...
 
VPUBLIC NOsh_calcNOsh_getCalc (NOsh *thee, int icalc)
 Returns specified calculation object. More...
 
VPUBLIC int NOsh_getDielfmt (NOsh *thee, int i)
 Returns format of specified dielectric map. More...
 
VPUBLIC int NOsh_getKappafmt (NOsh *thee, int i)
 Returns format of specified kappa map. More...
 
VPUBLIC int NOsh_getPotfmt (NOsh *thee, int i)
 Returns format of specified potential map. More...
 
VPUBLIC int NOsh_getChargefmt (NOsh *thee, int i)
 Returns format of specified charge map. More...
 
VPUBLIC NOsh_PrintType NOsh_printWhat (NOsh *thee, int iprint)
 Return an integer ID of the observable to print (. More...
 
VPUBLIC int NOsh_printNarg (NOsh *thee, int iprint)
 Return number of arguments to PRINT statement (. More...
 
VPUBLIC int NOsh_elec2calc (NOsh *thee, int icalc)
 Return the name of an elec statement. More...
 
VPUBLIC int NOsh_apol2calc (NOsh *thee, int icalc)
 Return the name of an apol statement. More...
 
VPUBLIC char * NOsh_elecname (NOsh *thee, int ielec)
 Return an integer mapping of an ELEC statement to a calculation ID (. More...
 
VPUBLIC int NOsh_printOp (NOsh *thee, int iprint, int iarg)
 Return integer ID for specified operation (. More...
 
VPUBLIC int NOsh_printCalc (NOsh *thee, int iprint, int iarg)
 Return calculation ID for specified PRINT statement (. More...
 
VPUBLIC NOshNOsh_ctor (int rank, int size)
 Construct NOsh. More...
 
VPUBLIC int NOsh_ctor2 (NOsh *thee, int rank, int size)
 FORTRAN stub to construct NOsh. More...
 
VPUBLIC void NOsh_dtor (NOsh **thee)
 Object destructor. More...
 
VPUBLIC void NOsh_dtor2 (NOsh *thee)
 FORTRAN stub for object destructor. More...
 
VPUBLIC NOsh_calcNOsh_calc_ctor (NOsh_CalcType calctype)
 Construct NOsh_calc. More...
 
VPUBLIC void NOsh_calc_dtor (NOsh_calc **thee)
 Object destructor. More...
 
VPUBLIC int NOsh_calc_copy (NOsh_calc *thee, NOsh_calc *source)
 Copy NOsh_calc object into thee. More...
 
VPUBLIC int NOsh_parseInputFile (NOsh *thee, char *filename)
 Parse an input file only from a file. More...
 
VPUBLIC int NOsh_parseInput (NOsh *thee, Vio *sock)
 Parse an input file from a socket. More...
 
VPRIVATE int NOsh_parseREAD_MOL (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseREAD_PARM (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseREAD_DIEL (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseREAD_KAPPA (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseREAD_POTENTIAL (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseREAD_CHARGE (NOsh *thee, Vio *sock)
 
VPRIVATE int NOsh_parseREAD_MESH (NOsh *thee, Vio *sock)
 
VPUBLIC int NOsh_setupElecCalc (NOsh *thee, Valist *alist[NOSH_MAXMOL])
 Setup the series of electrostatics calculations. More...
 
VPUBLIC int NOsh_setupApolCalc (NOsh *thee, Valist *alist[NOSH_MAXMOL])
 Setup the series of non-polar calculations. More...
 

Detailed Description

Class NOsh 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) 2010-2012 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
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*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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Definition in file nosh.c.