--- trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp	2004/01/30 21:47:22	1000
+++ trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp	2004/02/03 20:43:08	1010
@@ -1,28 +1,54 @@
 #ifndef _MININIZERPARAMETERSET_H_
 #define _MININIZERPARAMETERSET_H_
 
+const double DEFAULTTOLERANCE = 1.0e-4;
+
 // base class of minimizer's parameter set
 class MinimizerParameterSet{
   public:
-    MinimizerParameterSet(int dim);
 
-    virtual void setDefaultParameter();
+    MinimizerParameterSet();
+    MinimizerParameterSet(MinimizerParameterSet& param) {*this = param;}
+    
+    void operator= (MinimizerParameterSet& param) {
 
-    void setMaxIteration(int iteration) { maxIteration = iteration;}
-    int getMaxIteration() { return maxIteration;}
+      maxIteration = param.maxIteration;
+      stepTol = param.stepTol;
+      lsTol = param.lsTol;
+      fTol = param.fTol;
+      gTol = param.gTol;
+    }
     
-    void setStepSize(double step) { stepSize = step;}
-    double getStepSize() { return stepSize;}
+    virtual void setDefaultParameter(){
+      maxIteration = 200;
+      stepTol = DEFAULTTOLERANCE;
+      fTol = DEFAULTTOLERANCE;
+      gTol = DEFAULTTOLERANCE;
 
-    void setMaxStep(double step) { maxStep = step;}
-    double getMaxStep() {return maxStep;}
+      lsMaxIteration = 50;
+      lsTol = 1.0e-4;
+    } 
+    
+    
+    void setStepTol(double tol) { stepTol = tol;}
+    double getStepTol() { return stepTol;}
+    
+    void setMaxIteration(int iter) { maxIteration = iter;}
+    int getMaxIteration() {return maxIteration;}
 
-    void setAbsGradTol(double tol) {absGradTol = tol;}
-    double getAbsGradTol() {return absGradTol;}
+    void setFTol(double tol) {fTol = tol;} 
+    double getFTol() {return fTol;}
 
-    void setAchGradTol(double tol) { absAchGradTol = tol;}
-    double getAchGradTol() { return achGradTol;}
+    void setGradTol(double tol) {gTol = tol;}
+    double getGradTol() {return gTol;}
 
+    void setLineSearchTol(double tol) {lsTol = tol;}
+    double getLineSearchTol() {return lsTol;}
+
+    void setLineSearchMaxIteration(int iter) {lsMaxIteration = iter;}
+    int getLineSearchMaxIteration() {return lsMaxIteration;}
+
+/*
     void setAbsTol(vector<double>& tol) { absTol = tol;}
     vector<double> getAbsTol() { return absTol;}
     
@@ -31,22 +57,19 @@ class MinimizerParameterSet{
 
     void setTotTol(vector<double>& tol) { totTol = tol;}
     vector<double> getTotTol() { return totTol;}
+*/
 
   protected:    
 
     int maxIteration;
+    double stepTol;
+    double fTol;
+    double gTol;
 
-    double stepSize;
+    int lsMaxIteration;
+    double lsTol;
 
-    // Name of minimizer
-    string methodName;
-
-    // Absolute gradient tolerance 
-    double absGradTol;
-
-   // Achieved gradient tolerance.
-    double  achGradTol;
-
+/*
     // Absolute tolerance
     vector<double> absTol;
 
@@ -58,7 +81,7 @@ class MinimizerParameterSet{
 
     // Tolerance achieved at convergence.
     vector<double> achTol;
-
+*/
 };