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).
#	Content
1	#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	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(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), 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(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) {
31	Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot();
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
50	}
51	#endif