mdtools/md_code/StatWriter.cpp

#include <cstring>
#include <iostream>
#include <fstream>

#include "ReadWrite.hpp"


StatWriter::StatWriter( SimInfo* the_entry_plug ){

  entry_plug = the_entry_plug;
  
  strcpy( outName, entry_plug->statusName );
  outFile.open(outName, ios::out | ios::trunc );
  
  if( !outFile ){
    
    cerr << "Could not open \"" << outName << "\" for stat output.\n";
    exit(8);
  }
  
  //outFile.setf( ios::scientific );
  outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n";
  
  tStats = new Thermo( entry_plug );
}

StatWriter::~StatWriter( ){

  outFile.close();
  delete tStats;
}

void StatWriter::writeStat( double currentTime ){

  outFile.precision(8);
  outFile
    << currentTime << "\t"
    << tStats->getTotalE() << "\t"
    << tStats->getPotential() << "\t"
    << tStats->getKinetic() << "\t"
    << tStats->getTemperature() << "\n";
  outFile.flush();
}
Revision:	11
Committed:	Tue Jul 9 18:40:59 2002 UTC (23 years, 3 months ago) by mmeineke
File size:	882 byte(s)
Log Message:	This commit was generated by cvs2svn to compensate for changes in r10, which included commits to RCS files with non-trunk default branches.
#	Content
1	#include <cstring>
2	#include <iostream>
3	#include <fstream>
4
5	#include "ReadWrite.hpp"
6
7
8	StatWriter::StatWriter( SimInfo* the_entry_plug ){
9
10	entry_plug = the_entry_plug;
11
12	strcpy( outName, entry_plug->statusName );
13	outFile.open(outName, ios::out \| ios::trunc );
14
15	if( !outFile ){
16
17	cerr << "Could not open \"" << outName << "\" for stat output.\n";
18	exit(8);
19	}
20
21	//outFile.setf( ios::scientific );
22	outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n";
23
24	tStats = new Thermo( entry_plug );
25	}
26
27	StatWriter::~StatWriter( ){
28
29	outFile.close();
30	delete tStats;
31	}
32
33	void StatWriter::writeStat( double currentTime ){
34
35	outFile.precision(8);
36	outFile
37	<< currentTime << "\t"
38	<< tStats->getTotalE() << "\t"
39	<< tStats->getPotential() << "\t"
40	<< tStats->getKinetic() << "\t"
41	<< tStats->getTemperature() << "\n";
42	outFile.flush();
43	}