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SimParameters.C File Reference

#include "InfoStream.h"
#include "ComputeNonbondedUtil.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 "Debug.h"

Go to the source code of this file.

Defines

#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)

Detailed Description

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.

Define Documentation

#define BoolToString (  b   )     ((b) ? "TRUE" : "FALSE")
 

Definition at line 5562 of file SimParameters.C.

#define CHDIR   chdir
 

Definition at line 55 of file SimParameters.C.

#define fftwf_free   fftw_free
 

Definition at line 37 of file SimParameters.C.

#define fftwf_malloc   fftw_malloc
 

Definition at line 36 of file SimParameters.C.

#define MAX_SCRIPT_PARAM_SIZE   128
 

#define MKDIR (  X   )     mkdir(X,0777)
 

Definition at line 56 of file SimParameters.C.

#define PATHSEP   '/'
 

Definition at line 57 of file SimParameters.C.

#define PATHSEPSTR   "/"
 

Definition at line 58 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 79 of file SimParameters.C.

Function Documentation

int atobool (  const char *  s  ) 
 

Definition at line 128 of file SimParameters.C.

Referenced by SimParameters::scriptSet().

00128                            {
00129   return ( (! strncasecmp(s,"yes",8)) ||
00130            (! strncasecmp(s,"on",8)) || 
00131            (! strncasecmp(s,"true",8)) );
00132 };

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