Re #10008. Pass iteration number to minimizers.

mantidproject · Jul 28, 2014 · dfea396 · dfea396
1 parent a3958b2
commit dfea396
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Showing 14 changed files with 36 additions and 32 deletions.
diff --git a/Code/Mantid/Framework/API/inc/MantidAPI/IFuncMinimizer.h b/Code/Mantid/Framework/API/inc/MantidAPI/IFuncMinimizer.h
@@ -46,15 +46,18 @@ class MANTID_API_DLL IFuncMinimizer: public Kernel::PropertyManager
   /// Virtual destructor
   virtual ~IFuncMinimizer() {}
 
-  /// Initialize minimizer, i.e. pass costFunction
-  virtual void initialize(API::ICostFunction_sptr function) = 0;
+  /// Initialize minimizer.
+  /// @param function :: Function to minimize
+  /// @param maxIterations :: Maximum number of iterations
+  virtual void initialize(API::ICostFunction_sptr function, size_t maxIterations = 1000) = 0;
 
   /// Get name of minimizer
   virtual std::string name() const = 0;
 
   /// Do one iteration
+  /// @oaram iteration :: Current iteration number.
   /// @return :: true if iterations should be continued or false to stop
-  virtual bool iterate() = 0;
+  virtual bool iterate(size_t iteration) = 0;
 
   /// Perform iteration with minimizer and return true if successful.
   virtual bool minimize(size_t maxIterations = 1000);

diff --git a/Code/Mantid/Framework/API/src/IFuncMinimizer.cpp b/Code/Mantid/Framework/API/src/IFuncMinimizer.cpp
@@ -22,13 +22,13 @@ bool IFuncMinimizer::minimize(size_t maxIterations)
   bool success = false;
   do
   {
-    iter++;
-    if ( !iterate() )
+    if ( !iterate(iter) )
     {
       success = m_errorString.empty() || m_errorString == "success";
       m_errorString = "success";
       break;
     }
+    iter++;
   }
   while (iter < maxIterations);
 

diff --git a/Code/Mantid/Framework/API/test/FuncMinimizerFactoryTest.h b/Code/Mantid/Framework/API/test/FuncMinimizerFactoryTest.h
@@ -26,10 +26,10 @@ class FuncMinimizerFactoryTest_A: public IFuncMinimizer
 
   /// Overloading base class methods
   std::string name()const {return "Boevs";}
-  bool iterate() {return true;}
+  bool iterate(size_t) {return true;}
   int hasConverged() {return 101;}
   double costFunctionVal() {return 5.0;}
-  void initialize(API::ICostFunction_sptr)
+  void initialize(API::ICostFunction_sptr,size_t)
   {
   }
 };

diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/DampingMinimizer.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/DampingMinimizer.h
@@ -49,9 +49,9 @@ class DLLExport DampingMinimizer : public API::IFuncMinimizer
   std::string name() const {return "DampingMinimizer";}
 
   /// Initialize minimizer, i.e. pass a function to minimize.
-  virtual void initialize(API::ICostFunction_sptr function);
+  virtual void initialize(API::ICostFunction_sptr function,size_t maxIterations = 0);
   /// Do one iteration.
-  virtual bool iterate();
+  virtual bool iterate(size_t);
   /// Return current value of the cost function
   virtual double costFunctionVal();
 

diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/DerivMinimizer.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/DerivMinimizer.h
@@ -49,13 +49,13 @@ class DLLExport DerivMinimizer : public API::IFuncMinimizer
   ~DerivMinimizer();
 
   /// Do one iteration.
-  bool iterate();
+  bool iterate(size_t);
   /// Return current value of the cost function
   double costFunctionVal();
   /// Calculate the covariance matrix.
   void calCovarianceMatrix(gsl_matrix * covar, double epsrel = 0.0001);
   /// Initialize minimizer, i.e. pass a function to minimize.
-  virtual void initialize(API::ICostFunction_sptr function);
+  virtual void initialize(API::ICostFunction_sptr function,size_t maxIterations = 0);
   /// Set maximum value of the gradient at which iterations can stop
   void setStopGradient(const double value);
 

diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h
@@ -50,9 +50,9 @@ class DLLExport LevenbergMarquardtMDMinimizer : public API::IFuncMinimizer
   std::string name() const {return "Levenberg-MarquardtMD";}
 
   /// Initialize minimizer, i.e. pass a function to minimize.
-  virtual void initialize(API::ICostFunction_sptr function);
+  virtual void initialize(API::ICostFunction_sptr function, size_t  maxIterations = 0);
   /// Do one iteration.
-  virtual bool iterate();
+  virtual bool iterate(size_t iteration);
   /// Return current value of the cost function
   virtual double costFunctionVal();
 

diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h
@@ -51,9 +51,9 @@ class DLLExport LevenbergMarquardtMinimizer : public API::IFuncMinimizer
   std::string name() const {return "Levenberg-Marquardt";}
 
   /// Initialize minimizer, i.e. pass a function to minimize.
-  virtual void initialize(API::ICostFunction_sptr function);
+  virtual void initialize(API::ICostFunction_sptr function,size_t maxIterations = 0);
   /// Do one iteration.
-  virtual bool iterate();
+  virtual bool iterate(size_t);
   /// Return current value of the cost function
   virtual double costFunctionVal();
 

diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/SimplexMinimizer.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/SimplexMinimizer.h
@@ -49,11 +49,11 @@ class DLLExport SimplexMinimizer : public API::IFuncMinimizer
   /// Overloading base class methods
   std::string name()const{return "Simplex";}
   /// Do one iteration
-  bool iterate();
+  bool iterate(size_t);
   /// Return current value of the cost function
   double costFunctionVal();
   /// Initialize minimizer, i.e. pass a function to minimize.
-  virtual void initialize(API::ICostFunction_sptr function);
+  virtual void initialize(API::ICostFunction_sptr function, size_t maxIterations = 0);
 
 protected:
 

diff --git a/Code/Mantid/Framework/CurveFitting/src/DampingMinimizer.cpp b/Code/Mantid/Framework/CurveFitting/src/DampingMinimizer.cpp
@@ -37,7 +37,7 @@ m_relTol(1e-6)
 }
 
 /// Initialize minimizer, i.e. pass a function to minimize.
-void DampingMinimizer::initialize(API::ICostFunction_sptr function)
+void DampingMinimizer::initialize(API::ICostFunction_sptr function,size_t)
 {
   m_leastSquares = boost::dynamic_pointer_cast<CostFuncLeastSquares>(function);
   if ( !m_leastSquares )
@@ -47,7 +47,7 @@ void DampingMinimizer::initialize(API::ICostFunction_sptr function)
 }
 
 /// Do one iteration.
-bool DampingMinimizer::iterate()
+bool DampingMinimizer::iterate(size_t)
 {
   const bool debug = false;
 

diff --git a/Code/Mantid/Framework/CurveFitting/src/DerivMinimizer.cpp b/Code/Mantid/Framework/CurveFitting/src/DerivMinimizer.cpp
@@ -120,7 +120,7 @@ DerivMinimizer::~DerivMinimizer()
  * Initialize the minimizer.
  * @param function :: A cost function to minimize.
  */
-void DerivMinimizer::initialize(API::ICostFunction_sptr function) 
+void DerivMinimizer::initialize(API::ICostFunction_sptr function, size_t)
 {
   m_costFunction = function;
   m_gslMultiminContainer.n = m_costFunction->nParams();
@@ -147,7 +147,7 @@ void DerivMinimizer::initialize(API::ICostFunction_sptr function)
  * Perform one iteration.
  * @return :: true to continue, false to stop.
  */
-bool DerivMinimizer::iterate() 
+bool DerivMinimizer::iterate(size_t)
 {
   if (m_gslSolver == NULL)
   {

diff --git a/Code/Mantid/Framework/CurveFitting/src/Fit.cpp b/Code/Mantid/Framework/CurveFitting/src/Fit.cpp
@@ -393,15 +393,16 @@ namespace CurveFitting
     API::IFuncMinimizer_sptr minimizer = API::FuncMinimizerFactory::Instance().createMinimizer(minimizerName);
 
     // Try to retrieve optional properties
-    const int maxIterations = getProperty("MaxIterations");
+    int intMaxIterations = getProperty("MaxIterations");
+    const size_t maxIterations = static_cast<size_t>( intMaxIterations );
 
     // get the cost function which must be a CostFuncFitting
     boost::shared_ptr<CostFuncFitting> costFunc = boost::dynamic_pointer_cast<CostFuncFitting>(
       API::CostFunctionFactory::Instance().create(getPropertyValue("CostFunction"))
       );
 
     costFunc->setFittingFunction(m_function,domain,values);
-    minimizer->initialize(costFunc);
+    minimizer->initialize(costFunc,maxIterations);
 
     const int64_t nsteps = maxIterations*m_function->estimateNoProgressCalls();
     API::Progress prog(this,0.0,1.0,nsteps);
@@ -412,12 +413,11 @@ namespace CurveFitting
     bool success = false;
     std::string errorString;
     g_log.debug("Starting minimizer iteration\n");
-    while (static_cast<int>(iter) < maxIterations)
+    while ( iter < maxIterations )
     {
-      iter++;
       g_log.debug() << "Starting iteration " << iter << "\n";
       m_function->iterationStarting();
-      if ( !minimizer->iterate() )
+      if ( !minimizer->iterate(iter) )
       {
         errorString = minimizer->getError();
         g_log.debug() << "Iteration stopped. Minimizer status string=" << errorString << "\n";
@@ -435,6 +435,7 @@ namespace CurveFitting
       {
         g_log.debug() << "Iteration " << iter << ", cost function = " << minimizer->costFunctionVal() << "\n";
       }
+      ++iter;
     }
     g_log.debug() << "Number of minimizer iterations=" << iter << "\n";
 

diff --git a/Code/Mantid/Framework/CurveFitting/src/LevenbergMarquardtMDMinimizer.cpp b/Code/Mantid/Framework/CurveFitting/src/LevenbergMarquardtMDMinimizer.cpp
@@ -43,7 +43,7 @@ m_rho(1.0)
 }
 
 /// Initialize minimizer, i.e. pass a function to minimize.
-void LevenbergMarquardtMDMinimizer::initialize(API::ICostFunction_sptr function)
+void LevenbergMarquardtMDMinimizer::initialize(API::ICostFunction_sptr function, size_t)
 {
   m_leastSquares = boost::dynamic_pointer_cast<CostFuncLeastSquares>(function);
   if ( !m_leastSquares )
@@ -56,7 +56,7 @@ void LevenbergMarquardtMDMinimizer::initialize(API::ICostFunction_sptr function)
 }
 
 /// Do one iteration.
-bool LevenbergMarquardtMDMinimizer::iterate()
+bool LevenbergMarquardtMDMinimizer::iterate(size_t)
 {
   const bool debug = getProperty("Debug");
   const double muMax = getProperty("MuMax");

diff --git a/Code/Mantid/Framework/CurveFitting/src/LevenbergMarquardtMinimizer.cpp b/Code/Mantid/Framework/CurveFitting/src/LevenbergMarquardtMinimizer.cpp
@@ -35,7 +35,7 @@ LevenbergMarquardtMinimizer::LevenbergMarquardtMinimizer()
   declareProperty("RelError", m_relError, "Relative error allowed for parameters - a stopping parameter in success.");
 }
 
-void LevenbergMarquardtMinimizer::initialize(API::ICostFunction_sptr costFunction)
+void LevenbergMarquardtMinimizer::initialize(API::ICostFunction_sptr costFunction, size_t)
 {
   // set-up GSL container to be used with GSL simplex algorithm
   auto leastSquares = boost::dynamic_pointer_cast<CostFuncLeastSquares>(costFunction);
@@ -86,7 +86,7 @@ LevenbergMarquardtMinimizer::~LevenbergMarquardtMinimizer()
   }
 }
 
-bool LevenbergMarquardtMinimizer::iterate() 
+bool LevenbergMarquardtMinimizer::iterate(size_t)
 {
   m_absError = getProperty("AbsError");
   m_relError = getProperty("RelError");

diff --git a/Code/Mantid/Framework/CurveFitting/src/SimplexMinimizer.cpp b/Code/Mantid/Framework/CurveFitting/src/SimplexMinimizer.cpp
@@ -57,7 +57,7 @@ m_gslSolver(NULL)
 {
 }
 
-void SimplexMinimizer::initialize(API::ICostFunction_sptr function) 
+void SimplexMinimizer::initialize(API::ICostFunction_sptr function, size_t)
 {
   m_costFunction = function;
 
@@ -90,7 +90,7 @@ void SimplexMinimizer::initialize(API::ICostFunction_sptr function)
  * Do one iteration.
  * @return :: true if iterations to be continued, false if they can stop
  */
-bool SimplexMinimizer::iterate() 
+bool SimplexMinimizer::iterate(size_t)
 {
   int status = gsl_multimin_fminimizer_iterate(m_gslSolver);
   if (status)