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#define OPTIMIZATION_STATUSFUNCTION_HPP |
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#include "config.h" |
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#include "io/DumpWriter.hpp" |
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#include "brains/Stats.hpp" |
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#include "io/StatWriter.hpp" |
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namespace OpenMD { |
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class DumpStatusFunction : public StatusFunction { |
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public: |
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DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info), thermo(info) { |
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DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info) { |
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stats = new Stats(info_); |
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dumpWriter = new DumpWriter(info_); |
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StatsBitSet mask; |
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Stats::StatsBitSet mask; |
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mask.set(Stats::TIME); |
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mask.set(Stats::POTENTIAL_ENERGY); |
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statWriter = new StatWriter(info_->getStatFileName(), mask); |
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stats->setStatsMask(mask); |
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statWriter = new StatWriter(info_->getStatFileName(), stats); |
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} |
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virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { |
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Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot(); |
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thermo.saveStat(); |
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curSnapshot->setTime(functionCount); |
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|
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stats->collectStats(); |
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statWriter->writeStat(); |
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|
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dumpWriter->writeDumpAndEor(); |
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statWriter->writeStat(curSnapshot->statData); |
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} |
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~DumpStatusFunction() { |
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delete stats; |
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delete dumpWriter; |
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delete statWriter; |
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} |
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private: |
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SimInfo* info_; |
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Stats* stats; |
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DumpWriter* dumpWriter; |
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StatWriter* statWriter; |
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< |
Thermo thermo; |
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> |
StatWriter* statWriter; |
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}; |
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