| 1 | 
#include <cstring> | 
| 2 | 
#include <iostream> | 
| 3 | 
#include <fstream> | 
| 4 | 
 | 
| 5 | 
#include "ReadWrite.hpp" | 
| 6 | 
#include "simError.h" | 
| 7 | 
 | 
| 8 | 
 | 
| 9 | 
StatWriter::StatWriter( SimInfo* the_entry_plug ){ | 
| 10 | 
 | 
| 11 | 
  entry_plug = the_entry_plug; | 
| 12 | 
   | 
| 13 | 
  strcpy( outName, entry_plug->statusName ); | 
| 14 | 
  outFile.open(outName, ios::out | ios::trunc ); | 
| 15 | 
   | 
| 16 | 
  if( !outFile ){ | 
| 17 | 
     | 
| 18 | 
    sprintf( painCave.errMsg, | 
| 19 | 
             "Could not open \"%s\" for stat output.\n", | 
| 20 | 
             outName); | 
| 21 | 
    painCave.isFatal = 1; | 
| 22 | 
    simError(); | 
| 23 | 
  } | 
| 24 | 
   | 
| 25 | 
  //outFile.setf( ios::scientific ); | 
| 26 | 
  outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n"; | 
| 27 | 
   | 
| 28 | 
  tStats = new Thermo( entry_plug ); | 
| 29 | 
} | 
| 30 | 
 | 
| 31 | 
StatWriter::~StatWriter( ){ | 
| 32 | 
 | 
| 33 | 
  outFile.close(); | 
| 34 | 
  delete tStats; | 
| 35 | 
} | 
| 36 | 
 | 
| 37 | 
void StatWriter::writeStat( double currentTime ){ | 
| 38 | 
 | 
| 39 | 
  outFile.precision(8); | 
| 40 | 
  outFile | 
| 41 | 
    << currentTime << "\t" | 
| 42 | 
    << tStats->getTotalE() << "\t" | 
| 43 | 
    << tStats->getPotential() << "\t" | 
| 44 | 
    << tStats->getKinetic() << "\t" | 
| 45 | 
    << tStats->getTemperature() << "\n"; | 
| 46 | 
  outFile.flush(); | 
| 47 | 
} |