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root/group/trunk/OOPSE/libmdtools/MinimizerBase.hpp
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Comparing trunk/OOPSE/libmdtools/MinimizerBase.hpp (file contents):
Revision 987 by tim, Tue Jan 27 19:15:20 2004 UTC vs.
Revision 1000 by tim, Fri Jan 30 21:47:22 2004 UTC

# Line 1 | Line 1
1   #ifndef _MINIMIZERBASE_H_
2   #define _MINIMIZERBASE_H_
3  
4 + #include <string>
5 +
6 + #include "MinimizerParameterSet.hpp"
7 +
8 + using namespace std;
9 +
10   class MinimizerBase{
11    public:
12  
13      virtual void Init() = 0;
14      virtual void Minimize() = 0;
15 <    virtual int step() = 0;
10 <    virtual int testConvergence() = 0;
15 >    virtual int isConvergenceAchieved() = 0;
16      
12
17      virtual bool isSolvable() = 0;
18  
19 <    void double setFTol(double tol);
16 <    void double setGradTol(double gradTol);
19 >    virtual void printMinizerInfo() = 0;
20  
21 <    void setStepSize(double step) { stepSize = step;}
22 <    double getStepSize() { return stepSize;}
21 >    virtual MinimizerParameterSet* creatParameterSet() = 0;
22 >    
23 >    void setInitX(vector<double>& x) { initX = x;}
24  
25 <    void setMaxStep(double step) { maxStep = step;}
26 <    double getMaxStep() {return maxStep;}
25 >    void setMinX(vector<double>& x) { minX = x;}
26 >    vector<double> getMinX() { return minX;}
27  
28 <    const string& getMethodName() {return methodName;}
29 <    void setMethodName(const string& name) { methodName = name;}
28 >    void setPrecMinX(vector<double>& x) { prevMinX = x;}
29 >    vector<double> getPrevMinX() {return prevMinX;}
30  
31 +    int getMinimizationStatus() {return minimizationStatus;}
32 +
33 +    const string getName() {return minimizerName;}
34 +    void setName(const string& name) { minimizerName = name;}
35 +
36 +    
37    protected:
38 +    
39 +    MinimizerParameterSet* paramSet;
40  
41 <    double stepSize;
42 <    double maxStep;
43 <    double fTol;
44 <    double gradTol;
45 <    string methodName;
41 >    int minimizationStatus;
42 >
43 >    string minimizerName;
44 >    
45 >    // Coordinates yielding the minimum value of the function.
46 >    vector<double> minX;
47 >
48 >   // Vector holding the previous point.
49 >    vector<double> prevMinX;
50   };
51   #endif

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