OOPSE/libmdtools/Minimizer.hpp

#ifndef _MINIMIZER_H_
#define _MINIMIZER_H_
#include "MinimizerBase.hpp"
#include "Minimizer1D.hpp"
typedef enum {GoldenSection, Brent} LineSearchStrategy;
class Minimizer : public MinimizerBase{

  public:
    Minimizer(MinimizerParameterSet* param) : paramSet(param), outputFunc(NULL) {}

    virtual void printMinizerInfo() = 0;
    void init() {}


    void setOutputFunctor(OutputFunctor* functor) {outputFunc = functor;}
    virtual void writeOut(vector<double>& x, int iter){
      if (outputFunc !=NULL)
        (*outputFunc)(x, iter);
    }

    void setMinX(vector<double>& x) { minX = x;}
    vector<double> getMinX() { return minX;}

    void setPrevMinX(vector<double>& x) { prevMinX = x;}
    vector<double> getPrevMinX() {return prevMinX;}

    int getCurrentIteration() {return currentIter;}

  protected:
    
    MinimizerParameterSet* paramSet;    
    OutputFunctor* outputFunc;
    int currentIter;

    // Coordinates yielding the minimum value of the function.
    vector<double> minX;

   // Vector holding the previous point.
    vector<double> prevMinX; 
};

class MinimizerUsingLineSearch : public Minimizer{
  public:
    MinimizerUsingLineSearch(MinimizerParameterSet* param) : Minimizer(param), lineSearchInit(false){}
    void setLineSearchStrategy(NLModel* nlp, LineSearchStrategy stategy){

      if(stategy == GoldenSection)
        lsMinimizer = new GoldenSectionMinimizer(nlp);
      
      else if(stategy == Brent)
        lsMinimizer = new BrentMinimizer(nlp);
      
      else{
        cerr << "MinimizerUsingLineSearch Error : Unknown Line Search Strategy" << endl;
        exit(-1);
      }

      lsMinimizer->setMaxIteration(paramSet->getLineSearchMaxIteration());
      lsMinimizer->setStepTol(paramSet->getLineSearchTol());

      lineSearchInit = true;      
    }
    
  protected:

    Minimizer1D* lsMinimizer;
    bool lineSearchInit;
};

#endif
Revision:	1031
Committed:	Fri Feb 6 18:58:06 2004 UTC (20 years, 5 months ago) by tim
File size:	1968 byte(s)
Log Message:	Add some lines into global.cpp to make it work with energy minimization
#	User	Rev	Content
1	tim	1011	#ifndef _MINIMIZER_H_
2			#define _MINIMIZER_H_
3			#include "MinimizerBase.hpp"
4			#include "Minimizer1D.hpp"
5	tim	1023	typedef enum {GoldenSection, Brent} LineSearchStrategy;
6	tim	1011	class Minimizer : public MinimizerBase{
7
8			public:
9	tim	1031	Minimizer(MinimizerParameterSet* param) : paramSet(param), outputFunc(NULL) {}
10	tim	1011
11			virtual void printMinizerInfo() = 0;
12	tim	1023	void init() {}
13	tim	1031
14
15			void setOutputFunctor(OutputFunctor* functor) {outputFunc = functor;}
16			virtual void writeOut(vector<double>& x, int iter){
17			if (outputFunc !=NULL)
18			(*outputFunc)(x, iter);
19			}
20
21	tim	1011	void setMinX(vector<double>& x) { minX = x;}
22			vector<double> getMinX() { return minX;}
23
24			void setPrevMinX(vector<double>& x) { prevMinX = x;}
25			vector<double> getPrevMinX() {return prevMinX;}
26
27			int getCurrentIteration() {return currentIter;}
28
29			protected:
30
31			MinimizerParameterSet* paramSet;
32	tim	1031	OutputFunctor* outputFunc;
33	tim	1011	int currentIter;
34
35			// Coordinates yielding the minimum value of the function.
36			vector<double> minX;
37
38			// Vector holding the previous point.
39			vector<double> prevMinX;
40			};
41
42			class MinimizerUsingLineSearch : public Minimizer{
43			public:
44	tim	1023	MinimizerUsingLineSearch(MinimizerParameterSet* param) : Minimizer(param), lineSearchInit(false){}
45			void setLineSearchStrategy(NLModel* nlp, LineSearchStrategy stategy){
46
47			if(stategy == GoldenSection)
48			lsMinimizer = new GoldenSectionMinimizer(nlp);
49
50			else if(stategy == Brent)
51			lsMinimizer = new BrentMinimizer(nlp);
52
53			else{
54			cerr << "MinimizerUsingLineSearch Error : Unknown Line Search Strategy" << endl;
55			exit(-1);
56			}
57
58			lsMinimizer->setMaxIteration(paramSet->getLineSearchMaxIteration());
59			lsMinimizer->setStepTol(paramSet->getLineSearchTol());
60
61			lineSearchInit = true;
62			}
63
64	tim	1011	protected:
65	tim	1023
66	tim	1011	Minimizer1D* lsMinimizer;
67	tim	1023	bool lineSearchInit;
68	tim	1011	};
69
70			#endif