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root/group/trunk/mdtools/md_code/StatWriter.cpp
Revision: 162
Committed: Thu Oct 31 21:20:49 2002 UTC (21 years, 8 months ago) by mmeineke
File size: 958 byte(s)
Log Message:
*** empty log message ***

File Contents

# User Rev Content
1 mmeineke 10 #include <cstring>
2     #include <iostream>
3     #include <fstream>
4    
5     #include "ReadWrite.hpp"
6 mmeineke 162 #include "simError.h"
7 mmeineke 10
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 mmeineke 162 sprintf( painCave.errMsg,
19     "Could not open \"%s\" for stat output.\n",
20     outName);
21     painCave.isFatal = 1;
22     simError();
23 mmeineke 10 }
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     }