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#define _FILE_OFFSET_BITS 64 |
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#include "io/StatWriter.hpp" |
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#include "brains/Stats.hpp" |
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#include "utils/simError.h" |
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using namespace std; |
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namespace OpenMD { |
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StatsBitSet parseStatFileFormat(const std::string& format) { |
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StringTokenizer tokenizer(format, " ,;|\t\n\r"); |
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StatsBitSet mask; |
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while(tokenizer.hasMoreTokens()) { |
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std::string token(tokenizer.nextToken()); |
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toUpper(token); |
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Stats::StatsMapType::iterator i = Stats::statsMap.find(token); |
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if (i != Stats::statsMap.end()) { |
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mask.set(i->second); |
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} else { |
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sprintf( painCave.errMsg, |
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"%s is not a valid statFileFormat keyword.\n", token.c_str() ); |
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painCave.isFatal = 0; |
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painCave.severity = OPENMD_ERROR; |
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simError(); |
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} |
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} |
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|
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return mask; |
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} |
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StatWriter::StatWriter( const std::string& filename, const StatsBitSet& mask) : mask_(mask){ |
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StatWriter::StatWriter( const std::string& filename, Stats* stats) : stats_(stats){ |
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|
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#ifdef IS_MPI |
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if(worldRank == 0 ){ |
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#endif // is_mpi |
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|
| 59 |
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|
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statfile_.open(filename.c_str(), std::ios::out | std::ios::trunc ); |
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| 62 |
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if( !statfile_ ){ |
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#endif // is_mpi |
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} |
| 95 |
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| 96 |
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|
| 97 |
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void StatWriter::writeTitle() { |
| 98 |
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|
| 99 |
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Stats::StatsBitSet mask = stats_->getStatsMask(); |
| 100 |
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|
| 101 |
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#ifdef IS_MPI |
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if(worldRank == 0 ){ |
| 104 |
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|
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//write title |
| 106 |
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statfile_ << "#"; |
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for (int i =0; i < mask_.size(); ++i) { |
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if (mask_[i]) { |
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statfile_ << "\t" << Stats::getTitle(i) << "(" << Stats::getUnits(i) << ")"; |
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> |
for (int i = 0; i <mask.size(); ++i) { |
| 108 |
> |
if (mask[i]) { |
| 109 |
> |
statfile_ << "\t" << stats_->getTitle(i) << |
| 110 |
> |
"(" << stats_->getUnits(i) << ")"; |
| 111 |
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} |
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} |
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statfile_ << std::endl; |
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#endif // is_mpi |
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} |
| 119 |
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|
| 120 |
< |
void StatWriter::writeStat(const Stats& s){ |
| 121 |
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|
| 120 |
> |
void StatWriter::writeStat() { |
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> |
|
| 122 |
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#ifdef IS_MPI |
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if(worldRank == 0 ){ |
| 124 |
|
#endif // is_mpi |
| 125 |
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|
| 126 |
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Stats::StatsBitSet mask = stats_->getStatsMask(); |
| 127 |
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statfile_.precision(8); |
| 128 |
< |
for (int i =0; i < mask_.size(); ++i) { |
| 129 |
< |
if (mask_[i]) { |
| 130 |
< |
if (! isinf(s[i]) && ! isnan(s[i])){ |
| 131 |
< |
statfile_ << "\t" << s[i]; |
| 132 |
< |
} |
| 133 |
< |
else{ |
| 128 |
> |
for (int i = 0; i < mask.size(); ++i) { |
| 129 |
> |
if (mask[i]) { |
| 130 |
> |
if (stats_->getDataType(i) == "RealType") |
| 131 |
> |
writeReal(i); |
| 132 |
> |
else if (stats_->getDataType(i) == "Vector3d") |
| 133 |
> |
writeVector(i); |
| 134 |
> |
else if (stats_->getDataType(i) == "Mat3x3d") |
| 135 |
> |
writeMatrix(i); |
| 136 |
> |
else { |
| 137 |
|
sprintf( painCave.errMsg, |
| 138 |
< |
"StatWriter detected a numerical error writing: %s ", |
| 139 |
< |
Stats::getTitle(i).c_str()); |
| 138 |
> |
"StatWriter found an unknown data type for: %s ", |
| 139 |
> |
stats_->getTitle(i).c_str()); |
| 140 |
|
painCave.isFatal = 1; |
| 141 |
|
simError(); |
| 142 |
< |
} |
| 143 |
< |
} |
| 142 |
> |
} |
| 143 |
> |
} |
| 144 |
|
} |
| 145 |
+ |
|
| 146 |
|
statfile_ << std::endl; |
| 158 |
– |
|
| 147 |
|
statfile_.flush(); |
| 148 |
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|
| 149 |
|
#ifdef IS_MPI |
| 152 |
|
#endif // is_mpi |
| 153 |
|
} |
| 154 |
|
|
| 155 |
+ |
void StatWriter::writeReal(int i) { |
| 156 |
+ |
|
| 157 |
+ |
RealType s = stats_->getRealData(i); |
| 158 |
+ |
|
| 159 |
+ |
if (! isinf(s) && ! isnan(s)) { |
| 160 |
+ |
statfile_ << "\t" << s; |
| 161 |
+ |
} else{ |
| 162 |
+ |
sprintf( painCave.errMsg, |
| 163 |
+ |
"StatWriter detected a numerical error writing: %s ", |
| 164 |
+ |
stats_->getTitle(i).c_str()); |
| 165 |
+ |
painCave.isFatal = 1; |
| 166 |
+ |
simError(); |
| 167 |
+ |
} |
| 168 |
+ |
} |
| 169 |
+ |
|
| 170 |
+ |
void StatWriter::writeVector(int i) { |
| 171 |
+ |
|
| 172 |
+ |
Vector3d s = stats_->getVectorData(i); |
| 173 |
+ |
if (isinf(s[0]) || isnan(s[0]) || |
| 174 |
+ |
isinf(s[1]) || isnan(s[1]) || |
| 175 |
+ |
isinf(s[2]) || isnan(s[2]) ) { |
| 176 |
+ |
sprintf( painCave.errMsg, |
| 177 |
+ |
"StatWriter detected a numerical error writing: %s", |
| 178 |
+ |
stats_->getTitle(i).c_str()); |
| 179 |
+ |
painCave.isFatal = 1; |
| 180 |
+ |
simError(); |
| 181 |
+ |
} else { |
| 182 |
+ |
statfile_ << "\t" << s[0] << "\t" << s[1] << "\t" << s[2]; |
| 183 |
+ |
} |
| 184 |
+ |
} |
| 185 |
+ |
|
| 186 |
+ |
void StatWriter::writeMatrix(int i) { |
| 187 |
+ |
|
| 188 |
+ |
Mat3x3d s = stats_->getMatrixData(i); |
| 189 |
+ |
|
| 190 |
+ |
for (unsigned int i = 0; i < 3; i++) { |
| 191 |
+ |
for (unsigned int j = 0; j < 3; j++) { |
| 192 |
+ |
if (isinf(s(i,j)) || isnan(s(i,j))) { |
| 193 |
+ |
sprintf( painCave.errMsg, |
| 194 |
+ |
"StatWriter detected a numerical error writing: %s", |
| 195 |
+ |
stats_->getTitle(i).c_str()); |
| 196 |
+ |
painCave.isFatal = 1; |
| 197 |
+ |
simError(); |
| 198 |
+ |
} else { |
| 199 |
+ |
statfile_ << "\t" << s(i,j); |
| 200 |
+ |
} |
| 201 |
+ |
} |
| 202 |
+ |
} |
| 203 |
+ |
} |
| 204 |
|
} |
