OOPSE/libmdtools/MinimizerBase.hpp

#ifndef _MINIMIZERBASE_H_
#define _MINIMIZERBASE_H_

class MinimizerBase{
  public:

    virtual void Minimize() = 0;
    virtual int step() = 0;
    virtual bool testConvergence() = 0;

    virtual bool isSolvable() = 0;

    void double setFTol(double tol);
    void double setGradTol(double gradTol);

    void setStepSize(double step) { stepSize = step;}
    double getStepSize() { return stepSize;}

    void setMaxStep(double step) { maxStep = step;}
    double getMaxStep() {return maxStep;}

    const string& getMethodName() {return methodName;}
    void setMethodName(const string& name) { methodName = name;}

    void setObjFunctor();
    void getObjFunctor();

/*
    void setUpdateFunctor();
    void getUpdateFunctor();

    void setSearchFunctor();
    void getSearchFunctor();
*/

  protected:

    double stepSize;
    double maxStep;
    double fTol;
    double gradTol;
    string methodName;

    bool hasObjFunctor;

/*
    bool hasUpdateFunctor;

    bool hasSearchFunctor;
*/

};
#endif
Revision:	975
Committed:	Wed Jan 21 22:16:00 2004 UTC (20 years, 5 months ago) by tim
File size:	1064 byte(s)
Log Message:	constraint class in energy minimization
#	User	Rev	Content
1	tim	970	#ifndef _MINIMIZERBASE_H_
2			#define _MINIMIZERBASE_H_
3
4			class MinimizerBase{
5			public:
6
7			virtual void Minimize() = 0;
8			virtual int step() = 0;
9			virtual bool testConvergence() = 0;
10
11			virtual bool isSolvable() = 0;
12
13			void double setFTol(double tol);
14			void double setGradTol(double gradTol);
15
16	tim	975	void setStepSize(double step) { stepSize = step;}
17			double getStepSize() { return stepSize;}
18	tim	970
19	tim	975	void setMaxStep(double step) { maxStep = step;}
20			double getMaxStep() {return maxStep;}
21	tim	970
22	tim	975	const string& getMethodName() {return methodName;}
23			void setMethodName(const string& name) { methodName = name;}
24	tim	970
25			void setObjFunctor();
26			void getObjFunctor();
27
28			/*
29			void setUpdateFunctor();
30			void getUpdateFunctor();
31
32			void setSearchFunctor();
33			void getSearchFunctor();
34			*/
35
36			protected:
37
38			double stepSize;
39			double maxStep;
40			double fTol;
41			double gradTol;
42			string methodName;
43
44			bool hasObjFunctor;
45
46			/*
47			bool hasUpdateFunctor;
48
49			bool hasSearchFunctor;
50			*/
51
52			};
53			#endif