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root/OpenMD/branches/development/src/optimization/StatusFunction.hpp
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Comparing branches/development/src/optimization/StatusFunction.hpp (file contents):
Revision 1741 by gezelter, Tue Jun 5 18:02:44 2012 UTC vs.
Revision 1750 by gezelter, Thu Jun 7 12:53:46 2012 UTC

# Line 8 | Line 8 | namespace OpenMD {
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    

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