| 1 |
|
#define _LARGEFILE_SOURCE64 |
| 2 |
|
#define _FILE_OFFSET_BITS 64 |
| 3 |
|
|
| 4 |
< |
#include <string.h> |
| 5 |
< |
#include <iostream> |
| 6 |
< |
#include <fstream> |
| 7 |
< |
|
| 8 |
< |
#include "io/ReadWrite.hpp" |
| 4 |
> |
#include "io/StatWriter.hpp" |
| 5 |
|
#include "utils/simError.h" |
| 6 |
|
|
| 7 |
+ |
StatWriter::StatWriter( const std::string& filename, StatsBitSet mask) mask_(mask){ |
| 8 |
|
|
| 12 |
– |
StatWriter::StatWriter( SimInfo* the_entry_plug ){ |
| 13 |
– |
|
| 14 |
– |
entry_plug = the_entry_plug; |
| 15 |
– |
|
| 9 |
|
#ifdef IS_MPI |
| 10 |
|
if(worldRank == 0 ){ |
| 11 |
|
#endif // is_mpi |
| 12 |
|
|
| 13 |
< |
outName = entry_plug->statusName; |
| 21 |
< |
|
| 22 |
< |
//std::cerr << "Opening " << outName << " for stat\n"; |
| 23 |
< |
|
| 24 |
< |
outFile.open(outName.c_str(), ios::out | ios::trunc ); |
| 13 |
> |
statfile_.open(filename.c_str(), ios::out | ios::trunc ); |
| 14 |
|
|
| 15 |
< |
if( !outFile ){ |
| 15 |
> |
if( !statfile_ ){ |
| 16 |
|
|
| 17 |
|
sprintf( painCave.errMsg, |
| 18 |
< |
"Could not open \"%s\" for stat output.\n", |
| 19 |
< |
outName.c_str()); |
| 18 |
> |
"Could not open \"%s\" for stat output.\n", |
| 19 |
> |
filename.c_str()); |
| 20 |
|
painCave.isFatal = 1; |
| 21 |
|
simError(); |
| 22 |
|
} |
| 34 |
– |
|
| 35 |
– |
//outFile.setf( ios::scientific ); |
| 36 |
– |
outFile << "#time(fs)\tE_tot\tV\tKE\tT(K)\tP(atm)\tVol(A^3)\tH_conserved"; |
| 37 |
– |
|
| 38 |
– |
if (entry_plug->useSolidThermInt || entry_plug->useLiquidThermInt) |
| 39 |
– |
outFile << "\tV_raw"; |
| 23 |
|
|
| 41 |
– |
if (entry_plug->useSolidThermInt) |
| 42 |
– |
outFile << "\tV_harm"; |
| 43 |
– |
|
| 44 |
– |
outFile << "\n"; |
| 45 |
– |
|
| 46 |
– |
|
| 24 |
|
#ifdef IS_MPI |
| 25 |
|
} |
| 26 |
|
|
| 27 |
|
sprintf( checkPointMsg, |
| 28 |
< |
"Sucessfully opened output file for stating.\n"); |
| 28 |
> |
"Sucessfully opened output file for stating.\n"); |
| 29 |
|
MPIcheckPoint(); |
| 30 |
|
#endif // is_mpi |
| 31 |
|
|
| 55 |
– |
tStats = new Thermo( entry_plug ); |
| 32 |
|
} |
| 33 |
|
|
| 34 |
|
StatWriter::~StatWriter( ){ |
| 37 |
|
if(worldRank == 0 ){ |
| 38 |
|
#endif // is_mpi |
| 39 |
|
|
| 40 |
< |
outFile.close(); |
| 65 |
< |
delete tStats; |
| 40 |
> |
statfile_.close(); |
| 41 |
|
|
| 42 |
|
#ifdef IS_MPI |
| 43 |
|
} |
| 44 |
|
#endif // is_mpi |
| 45 |
|
} |
| 46 |
|
|
| 47 |
< |
void StatWriter::writeStat( double currentTime ){ |
| 47 |
> |
void StatWriter::writeTitle() { |
| 48 |
|
|
| 74 |
– |
double totE, potE, kinE, temp, press, vol; |
| 75 |
– |
double conservedQuantity; |
| 49 |
|
|
| 77 |
– |
totE = tStats->getTotalE(); |
| 78 |
– |
potE = tStats->getPotential(); |
| 79 |
– |
kinE = tStats->getKinetic(); |
| 80 |
– |
temp = tStats->getTemperature(); |
| 81 |
– |
press = tStats->getPressure(); |
| 82 |
– |
vol = tStats->getVolume(); |
| 83 |
– |
conservedQuantity = entry_plug->the_integrator->getConservedQuantity(); |
| 84 |
– |
|
| 50 |
|
#ifdef IS_MPI |
| 51 |
< |
if(worldRank == 0 ){ |
| 51 |
> |
if(worldRank == 0 ){ |
| 52 |
|
#endif // is_mpi |
| 53 |
|
|
| 54 |
< |
outFile.precision(8); |
| 55 |
< |
outFile |
| 56 |
< |
<< currentTime << "\t" |
| 57 |
< |
<< totE << "\t" |
| 58 |
< |
<< potE << "\t" |
| 59 |
< |
<< kinE << "\t" |
| 60 |
< |
<< temp << "\t" |
| 61 |
< |
<< press << "\t" |
| 97 |
< |
<< vol << "\t" |
| 98 |
< |
<< conservedQuantity; |
| 54 |
> |
//write title |
| 55 |
> |
statfile_ << "#time (fs)" |
| 56 |
> |
for (int i =0; i < mask_.size(); ++i) { |
| 57 |
> |
if (mask_[i]) { |
| 58 |
> |
statfile_ << "\t" << Stats::getTitle(i); |
| 59 |
> |
} |
| 60 |
> |
} |
| 61 |
> |
statfile_ << std::endl; |
| 62 |
|
|
| 63 |
< |
if (entry_plug->useSolidThermInt || entry_plug->useLiquidThermInt) |
| 64 |
< |
outFile << "\t" << entry_plug->vRaw; |
| 65 |
< |
|
| 66 |
< |
if (entry_plug->useSolidThermInt) |
| 104 |
< |
outFile << "\t" << entry_plug->vHarm; |
| 63 |
> |
#ifdef IS_MPI |
| 64 |
> |
} |
| 65 |
> |
#endif // is_mpi |
| 66 |
> |
} |
| 67 |
|
|
| 68 |
< |
outFile << "\n"; |
| 68 |
> |
void StatWriter::writeStat(Snapshot* s){ |
| 69 |
|
|
| 70 |
< |
outFile.flush(); |
| 70 |
> |
#ifdef IS_MPI |
| 71 |
> |
if(worldRank == 0 ){ |
| 72 |
> |
#endif // is_mpi |
| 73 |
|
|
| 74 |
+ |
statfile_.precision(8); |
| 75 |
+ |
|
| 76 |
+ |
statfile_ << s->getTimeStamp(); |
| 77 |
+ |
for (int i =0; i < mask_.size(); ++i) { |
| 78 |
+ |
if (mask_[i]) { |
| 79 |
+ |
statfile_ << "\t" << s->statData[i]; |
| 80 |
+ |
} |
| 81 |
+ |
} |
| 82 |
+ |
statfile_ << std::endl; |
| 83 |
+ |
|
| 84 |
+ |
statfile_.flush(); |
| 85 |
+ |
|
| 86 |
|
#ifdef IS_MPI |
| 87 |
< |
} |
| 87 |
> |
} |
| 88 |
|
#endif // is_mpi |
| 89 |
|
} |
| 90 |
|
|
