oopse-1.0/libmdtools/MinimizerParameterSet.hpp

#ifndef _MININIZERPARAMETERSET_H_
#define _MININIZERPARAMETERSET_H_

const double DEFAULTTOLERANCE = 1.0e-8;

// base class of minimizer's parameter set
class MinimizerParameterSet{
  public:

    MinimizerParameterSet() {setDefaultParameter();}
    MinimizerParameterSet(MinimizerParameterSet& param) {*this = param;}
    
    void operator= (MinimizerParameterSet& param) {

      maxIteration = param.maxIteration;
      stepSize = param.stepSize;
      stepTol = param.stepTol;
      fTol = param.fTol;
      gTol = param.gTol;

      writeFrq = param.writeFrq;

      lsMaxIteration = param.lsMaxIteration;
      lsTol = param.lsTol;

}
    
    virtual void setDefaultParameter(){
      maxIteration = 200;
      stepSize = 0.01;
      stepTol = DEFAULTTOLERANCE;
      fTol = DEFAULTTOLERANCE;
      gTol = DEFAULTTOLERANCE;

      writeFrq = maxIteration;
      
      lsMaxIteration = 50;
      lsTol = DEFAULTTOLERANCE;
    } 
      
    void setStepTol(double tol) { stepTol = tol;}
    double getStepTol() { return stepTol;}

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

    void setMaxIteration(int iter) { maxIteration = iter;}
    int getMaxIteration() {return maxIteration;}

    void setFTol(double tol) {fTol = tol;} 
    double getFTol() {return fTol;}

    void setGTol(double tol) {gTol = tol;}
    double getGTol() {return gTol;}

    void setLineSearchTol(double tol) {lsTol = tol;}
    double getLineSearchTol() {return lsTol;}

    void setLineSearchMaxIteration(int iter) {lsMaxIteration = iter;}
    int getLineSearchMaxIteration() {return lsMaxIteration;}

    void setWriteFrq(int frq) {writeFrq = frq;}
    int getWriteFrq() {return writeFrq;}

  protected:    

    int maxIteration;
    double stepTol;
    double fTol;
    double gTol;
    double stepSize;

    int lsMaxIteration;
    double lsTol;

    int writeFrq;
    //int resetFrq;
/*
    // Absolute tolerance
    vector<double> absTol;

    // Relative tolerance
    vector<double> relTol;

    // Total specified tolerance at convergence 
    vector<double> totTol;

    // Tolerance achieved at convergence.
    vector<double> achTol;
*/
};


#endif
Revision:	1447
Committed:	Fri Jul 30 21:01:35 2004 UTC (19 years, 11 months ago) by gezelter
File size:	2294 byte(s)
Log Message:	Initial import of OOPSE sources into cvs tree
#	User	Rev	Content
1	gezelter	1447	#ifndef _MININIZERPARAMETERSET_H_
2			#define _MININIZERPARAMETERSET_H_
3
4			const double DEFAULTTOLERANCE = 1.0e-8;
5
6			// base class of minimizer's parameter set
7			class MinimizerParameterSet{
8			public:
9
10			MinimizerParameterSet() {setDefaultParameter();}
11			MinimizerParameterSet(MinimizerParameterSet& param) {*this = param;}
12
13			void operator= (MinimizerParameterSet& param) {
14
15			maxIteration = param.maxIteration;
16			stepSize = param.stepSize;
17			stepTol = param.stepTol;
18			fTol = param.fTol;
19			gTol = param.gTol;
20
21			writeFrq = param.writeFrq;
22
23			lsMaxIteration = param.lsMaxIteration;
24			lsTol = param.lsTol;
25
26			}
27
28			virtual void setDefaultParameter(){
29			maxIteration = 200;
30			stepSize = 0.01;
31			stepTol = DEFAULTTOLERANCE;
32			fTol = DEFAULTTOLERANCE;
33			gTol = DEFAULTTOLERANCE;
34
35			writeFrq = maxIteration;
36
37			lsMaxIteration = 50;
38			lsTol = DEFAULTTOLERANCE;
39			}
40
41			void setStepTol(double tol) { stepTol = tol;}
42			double getStepTol() { return stepTol;}
43
44			void setStepSize(double size) { stepSize = size;}
45			double getStepSize() { return stepSize;}
46
47			void setMaxIteration(int iter) { maxIteration = iter;}
48			int getMaxIteration() {return maxIteration;}
49
50			void setFTol(double tol) {fTol = tol;}
51			double getFTol() {return fTol;}
52
53			void setGTol(double tol) {gTol = tol;}
54			double getGTol() {return gTol;}
55
56			void setLineSearchTol(double tol) {lsTol = tol;}
57			double getLineSearchTol() {return lsTol;}
58
59			void setLineSearchMaxIteration(int iter) {lsMaxIteration = iter;}
60			int getLineSearchMaxIteration() {return lsMaxIteration;}
61
62			void setWriteFrq(int frq) {writeFrq = frq;}
63			int getWriteFrq() {return writeFrq;}
64
65			protected:
66
67			int maxIteration;
68			double stepTol;
69			double fTol;
70			double gTol;
71			double stepSize;
72
73			int lsMaxIteration;
74			double lsTol;
75
76			int writeFrq;
77			//int resetFrq;
78			/*
79			// Absolute tolerance
80			vector<double> absTol;
81
82			// Relative tolerance
83			vector<double> relTol;
84
85			// Total specified tolerance at convergence
86			vector<double> totTol;
87
88			// Tolerance achieved at convergence.
89			vector<double> achTol;
90			*/
91			};
92
93
94			#endif