Functions

src/generic/nosh.c File Reference

Class NOsh methods. More...

#include "apbscfg.h"
#include "apbs/nosh.h"
#include "apbs/vstring.h"
#include "apbs/mgparm.h"
#include "apbs/femparm.h"
Include dependency graph for nosh.c:

Go to the source code of this file.

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

Detailed Description

Class NOsh methods.

Author:
Nathan Baker
Version:
Id:
nosh.c 1585 2010-05-13 16:21:17Z sdg0919
Attention:
 *
 * APBS -- Adaptive Poisson-Boltzmann Solver
 *
 * Nathan A. Baker (nathan.baker@pnl.gov)
 * Pacific Northwest National Laboratory
 *
 * Additional contributing authors listed in the code documentation.
 *
 * Copyright (c) 2010, Pacific Northwest National Laboratory.  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.
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 * modification, are permitted provided that the following conditions are met: 
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Definition in file nosh.c.