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 "common.h"
#include "structures.h"
#include "Communicate.h"
#include "MStream.h"
#include "Output.h"
#include "PatchData.h"
#include <stdio.h>
#include <time.h>
#include <tcl.h>
#include <sfftw.h>
#include <srfftw.h>
#include <unistd.h>
#include <fcntl.h>
#include <sys/stat.h>
#include <fstream>
#include "strlib.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

BoolToString

#define BoolToString

(

b

)

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

Definition at line 8126 of file SimParameters.C.

CHDIR

#define CHDIR   chdir

Definition at line 63 of file SimParameters.C.

fftwf_free

#define fftwf_free   fftw_free

Definition at line 45 of file SimParameters.C.

fftwf_malloc

#define fftwf_malloc   fftw_malloc

Definition at line 44 of file SimParameters.C.

MAX_SCRIPT_PARAM_SIZE

#define MAX_SCRIPT_PARAM_SIZE   128

Referenced by SimParameters::scriptSet().

MKDIR

#define MKDIR

(

X

)

mkdir(X,0777)

Definition at line 64 of file SimParameters.C.

PATHSEP

#define PATHSEP   '/'

Definition at line 65 of file SimParameters.C.

PATHSEPSTR

#define PATHSEPSTR   "/"

Definition at line 66 of file SimParameters.C.

SCRIPT_PARSE_BOOL

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

Referenced by SimParameters::scriptSet().

SCRIPT_PARSE_FLOAT

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

Referenced by SimParameters::scriptSet().

SCRIPT_PARSE_INT

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

Referenced by SimParameters::scriptSet().

SCRIPT_PARSE_MOD_FLOAT

#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().

SCRIPT_PARSE_STRING

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

Referenced by SimParameters::scriptSet().

SCRIPT_PARSE_VECTOR

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

Referenced by SimParameters::scriptSet().

XXXBIGREAL

#define XXXBIGREAL   1.0e32

Definition at line 104 of file SimParameters.C.

Function Documentation

atobool()

int atobool

(

const char *

s

)

Definition at line 171 of file SimParameters.C.

Referenced by SimParameters::scriptSet().

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

Variable Documentation

deviceCUDA

__thread DeviceCUDA* deviceCUDA

Definition at line 23 of file DeviceCUDA.C.