src/optimization/StatusFunction.hpp

#ifndef OPTIMIZATION_STATUSFUNCTION_HPP
#define OPTIMIZATION_STATUSFUNCTION_HPP
#include "config.h"
#include "io/DumpWriter.hpp"
#include "io/StatWriter.hpp"

namespace OpenMD {
  class StatusFunction {
  public:
    virtual ~StatusFunction() {}
    virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { std::cerr << "doing status\n"; }    
  };

  //! No status
  class NoStatus : public StatusFunction {
  public:
    virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {};
  };

  class DumpStatusFunction : public StatusFunction {

  public:
    DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info), thermo(info) {
      dumpWriter = new DumpWriter(info_);     
      StatsBitSet mask;
      mask.set(Stats::TIME);
      mask.set(Stats::POTENTIAL_ENERGY);
      statWriter = new StatWriter(info_->getStatFileName(), mask);
    }
    virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {
      Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot();
      thermo.saveStat();
      curSnapshot->setTime(functionCount);         
      dumpWriter->writeDumpAndEor();
      statWriter->writeStat(curSnapshot->statData);
    }
    ~DumpStatusFunction() {
      delete dumpWriter;
      delete statWriter;
    }
    
  private:
    SimInfo* info_;
    DumpWriter* dumpWriter;
    StatWriter* statWriter;
    Thermo thermo;
  };
                             
  
}
#endif
Revision:	1750
Committed:	Thu Jun 7 12:53:46 2012 UTC (12 years, 10 months ago) by gezelter
File size:	1569 byte(s)
Log Message:	Fixing some bugs in optimization, fixing status functions so that they dump correctly (although some things are deferred until the Stats is accumulator-based).
#	User	Rev	Content
1	gezelter	1741	#ifndef OPTIMIZATION_STATUSFUNCTION_HPP
2			#define OPTIMIZATION_STATUSFUNCTION_HPP
3			#include "config.h"
4			#include "io/DumpWriter.hpp"
5			#include "io/StatWriter.hpp"
6
7			namespace OpenMD {
8			class StatusFunction {
9			public:
10			virtual ~StatusFunction() {}
11	gezelter	1750	virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { std::cerr << "doing status\n"; }
12	gezelter	1741	};
13
14			//! No status
15			class NoStatus : public StatusFunction {
16			public:
17	gezelter	1750	virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {};
18	gezelter	1741	};
19
20			class DumpStatusFunction : public StatusFunction {
21
22			public:
23	gezelter	1750	DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info), thermo(info) {
24	gezelter	1741	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	gezelter	1750	virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {
31	gezelter	1741	Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot();
32	gezelter	1750	thermo.saveStat();
33			curSnapshot->setTime(functionCount);
34	gezelter	1741	dumpWriter->writeDumpAndEor();
35			statWriter->writeStat(curSnapshot->statData);
36			}
37	gezelter	1750	~DumpStatusFunction() {
38			delete dumpWriter;
39			delete statWriter;
40			}
41	gezelter	1741
42			private:
43			SimInfo* info_;
44			DumpWriter* dumpWriter;
45			StatWriter* statWriter;
46	gezelter	1750	Thermo thermo;
47	gezelter	1741	};
48
49
50			}
51			#endif