| 1 | gezelter | 1741 | #ifndef OPTIMIZATION_STATUSFUNCTION_HPP | 
| 2 |  |  | #define OPTIMIZATION_STATUSFUNCTION_HPP | 
| 3 |  |  | #include "config.h" | 
| 4 |  |  | #include "io/DumpWriter.hpp" | 
| 5 | gezelter | 1764 | #include "brains/Stats.hpp" | 
| 6 | gezelter | 1741 | #include "io/StatWriter.hpp" | 
| 7 |  |  |  | 
| 8 |  |  | namespace OpenMD { | 
| 9 |  |  | class StatusFunction { | 
| 10 |  |  | public: | 
| 11 |  |  | virtual ~StatusFunction() {} | 
| 12 | gezelter | 1750 | virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { std::cerr << "doing status\n"; } | 
| 13 | gezelter | 1741 | }; | 
| 14 |  |  |  | 
| 15 |  |  | //! No status | 
| 16 |  |  | class NoStatus : public StatusFunction { | 
| 17 |  |  | public: | 
| 18 | gezelter | 1750 | virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {}; | 
| 19 | gezelter | 1741 | }; | 
| 20 |  |  |  | 
| 21 |  |  | class DumpStatusFunction : public StatusFunction { | 
| 22 |  |  |  | 
| 23 |  |  | public: | 
| 24 | gezelter | 1764 | DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info) { | 
| 25 |  |  | stats = new Stats(info_); | 
| 26 | gezelter | 1741 | dumpWriter = new DumpWriter(info_); | 
| 27 | gezelter | 1764 | Stats::StatsBitSet mask; | 
| 28 | gezelter | 1741 | mask.set(Stats::TIME); | 
| 29 |  |  | mask.set(Stats::POTENTIAL_ENERGY); | 
| 30 | gezelter | 1764 | stats->setStatsMask(mask); | 
| 31 |  |  | statWriter = new StatWriter(info_->getStatFileName(), stats); | 
| 32 | gezelter | 1741 | } | 
| 33 | gezelter | 1750 | virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { | 
| 34 | gezelter | 1741 | Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot(); | 
| 35 | gezelter | 1750 | curSnapshot->setTime(functionCount); | 
| 36 | gezelter | 1764 |  | 
| 37 |  |  | stats->collectStats(); | 
| 38 |  |  | statWriter->writeStat(); | 
| 39 |  |  |  | 
| 40 | gezelter | 1741 | dumpWriter->writeDumpAndEor(); | 
| 41 |  |  | } | 
| 42 | gezelter | 1750 | ~DumpStatusFunction() { | 
| 43 | gezelter | 1874 | delete stats; | 
| 44 | gezelter | 1750 | delete dumpWriter; | 
| 45 |  |  | delete statWriter; | 
| 46 |  |  | } | 
| 47 | gezelter | 1741 |  | 
| 48 |  |  | private: | 
| 49 |  |  | SimInfo* info_; | 
| 50 | gezelter | 1764 | Stats* stats; | 
| 51 | gezelter | 1741 | DumpWriter* dumpWriter; | 
| 52 | gezelter | 1764 | StatWriter* statWriter; | 
| 53 | gezelter | 1741 | }; | 
| 54 |  |  |  | 
| 55 |  |  |  | 
| 56 |  |  | } | 
| 57 |  |  | #endif |