| 8 |
|
class StatusFunction { |
| 9 |
|
public: |
| 10 |
|
virtual ~StatusFunction() {} |
| 11 |
< |
virtual void writeStatus() { std::cerr << "doing status\n"; } |
| 11 |
> |
virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { std::cerr << "doing status\n"; } |
| 12 |
|
}; |
| 13 |
|
|
| 14 |
|
//! No status |
| 15 |
|
class NoStatus : public StatusFunction { |
| 16 |
|
public: |
| 17 |
< |
virtual void writeStatus() {}; |
| 17 |
> |
virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {}; |
| 18 |
|
}; |
| 19 |
|
|
| 20 |
|
class DumpStatusFunction : public StatusFunction { |
| 21 |
|
|
| 22 |
|
public: |
| 23 |
< |
DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info) { |
| 23 |
> |
DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info), thermo(info) { |
| 24 |
|
dumpWriter = new DumpWriter(info_); |
| 25 |
|
StatsBitSet mask; |
| 26 |
|
mask.set(Stats::TIME); |
| 27 |
|
mask.set(Stats::POTENTIAL_ENERGY); |
| 28 |
|
statWriter = new StatWriter(info_->getStatFileName(), mask); |
| 29 |
|
} |
| 30 |
< |
virtual void writeStatus() { |
| 30 |
> |
virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { |
| 31 |
|
Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot(); |
| 32 |
< |
info_->getSnapshotManager()->advance(); |
| 32 |
> |
thermo.saveStat(); |
| 33 |
> |
curSnapshot->setTime(functionCount); |
| 34 |
|
dumpWriter->writeDumpAndEor(); |
| 35 |
|
statWriter->writeStat(curSnapshot->statData); |
| 36 |
|
} |
| 37 |
+ |
~DumpStatusFunction() { |
| 38 |
+ |
delete dumpWriter; |
| 39 |
+ |
delete statWriter; |
| 40 |
+ |
} |
| 41 |
|
|
| 42 |
|
private: |
| 43 |
|
SimInfo* info_; |
| 44 |
|
DumpWriter* dumpWriter; |
| 45 |
|
StatWriter* statWriter; |
| 46 |
+ |
Thermo thermo; |
| 47 |
|
}; |
| 48 |
|
|
| 49 |
|
|
