SimParameters.C File Reference

#include "InfoStream.h"
#include "ComputeNonbondedUtil.h"
#include "LJTable.h"
#include "ComputePme.h"
#include "ComputeCUDAMgr.h"
#include "ConfigList.h"
#include "SimParameters.h"
#include "ParseOptions.h"
#include "structures.h"
#include "Communicate.h"
#include "MStream.h"
#include "Output.h"
#include <stdio.h>
#include <time.h>
#include <sfftw.h>
#include <srfftw.h>
#include <unistd.h>
#include <fcntl.h>
#include <sys/stat.h>
#include <fstream>
#include "strlib.h"
#include "ComputeNonbondedMICKernel.h"
#include "DeviceCUDA.h"
#include "Debug.h"

Go to the source code of this file.

Macros
#define	fftwf_malloc   fftw_malloc
#define	fftwf_free   fftw_free
#define	CHDIR   chdir
#define	MKDIR(X)   mkdir(X,0777)
#define	PATHSEP   '/'
#define	PATHSEPSTR   "/"
#define	XXXBIGREAL   1.0e32
#define	MAX_SCRIPT_PARAM_SIZE   128
#define	SCRIPT_PARSE_BOOL(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atobool(value); return; } }
#define	SCRIPT_PARSE_INT(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atoi(value); return; } }
#define	SCRIPT_PARSE_FLOAT(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value); return; } }
#define	SCRIPT_PARSE_MOD_FLOAT(NAME, VAR, MOD)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value) MOD; return; } }
#define	SCRIPT_PARSE_VECTOR(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR).set(value); return; } }
#define	SCRIPT_PARSE_STRING(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { strcpy(VAR,value); return; } }
#define	BoolToString(b)   ((b) ? "TRUE" : "FALSE")

Functions
int	atobool (const char *s)

Variables
__thread DeviceCUDA *	deviceCUDA

Detailed Description

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved. SimParameters is just a glorified structure to hold the global static simulation parameters such as timestep size, cutoff, etc. that are read in from the configuration file.

Definition in file SimParameters.C.

Macro Definition Documentation

#define BoolToString

(

b

)

((b) ? "TRUE" : "FALSE")

Definition at line 6970 of file SimParameters.C.

#define CHDIR   chdir

Definition at line 58 of file SimParameters.C.

#define fftwf_free   fftw_free

Definition at line 40 of file SimParameters.C.

#define fftwf_malloc   fftw_malloc

Definition at line 39 of file SimParameters.C.

#define MAX_SCRIPT_PARAM_SIZE   128

Referenced by SimParameters::scriptSet().

#define MKDIR

(

X

)

mkdir(X,0777)

Definition at line 59 of file SimParameters.C.

#define PATHSEP   '/'

Definition at line 60 of file SimParameters.C.

#define PATHSEPSTR   "/"

Definition at line 61 of file SimParameters.C.

#define SCRIPT_PARSE_BOOL	(		NAME,
			VAR
	)		{ if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atobool(value); return; } }

Referenced by SimParameters::scriptSet().

#define SCRIPT_PARSE_FLOAT	(		NAME,
			VAR
	)		{ if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value); return; } }

Referenced by SimParameters::scriptSet().

#define SCRIPT_PARSE_INT	(		NAME,
			VAR
	)		{ if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atoi(value); return; } }

Referenced by SimParameters::scriptSet().

#define SCRIPT_PARSE_MOD_FLOAT	(		NAME,
			VAR,
			MOD
	)		{ if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value) MOD; return; } }

Referenced by SimParameters::scriptSet().

#define SCRIPT_PARSE_STRING	(		NAME,
			VAR
	)		{ if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { strcpy(VAR,value); return; } }

Referenced by SimParameters::scriptSet().

#define SCRIPT_PARSE_VECTOR	(		NAME,
			VAR
	)		{ if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR).set(value); return; } }

Referenced by SimParameters::scriptSet().

#define XXXBIGREAL   1.0e32

Definition at line 101 of file SimParameters.C.

Function Documentation

int atobool

(

const char *

s

)

Definition at line 168 of file SimParameters.C.

Referenced by SimParameters::scriptSet().

                           {
  return ( (! strncasecmp(s,"yes",8)) ||
           (! strncasecmp(s,"on",8)) || 
           (! strncasecmp(s,"true",8)) );
};

Variable Documentation

__thread DeviceCUDA* deviceCUDA

Definition at line 22 of file DeviceCUDA.C.