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function.h00001 // 00002 // function.h 00003 // 00004 // Copyright (C) 1996 Limit Point Systems, Inc. 00005 // 00006 // Author: Curtis Janssen <cljanss@limitpt.com> 00007 // Maintainer: LPS 00008 // 00009 // This file is part of the SC Toolkit. 00010 // 00011 // The SC Toolkit is free software; you can redistribute it and/or modify 00012 // it under the terms of the GNU Library General Public License as published by 00013 // the Free Software Foundation; either version 2, or (at your option) 00014 // any later version. 00015 // 00016 // The SC Toolkit is distributed in the hope that it will be useful, 00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00019 // GNU Library General Public License for more details. 00020 // 00021 // You should have received a copy of the GNU Library General Public License 00022 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to 00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. 00024 // 00025 // The U.S. Government is granted a limited license as per AL 91-7. 00026 // 00027 00028 #ifdef __GNUC__ 00029 #pragma interface 00030 #endif 00031 00032 #ifndef _math_optimize_function_h 00033 #define _math_optimize_function_h 00034 00035 #include <math.h> 00036 #include <float.h> 00037 00038 #include <util/state/state.h> 00039 #include <math/optimize/transform.h> 00040 #include <math/scmat/matrix.h> 00041 #include <math/scmat/result.h> 00042 00043 namespace sc { 00044 00048 class Function: virtual public SavableState, public Compute { 00049 protected: 00050 Ref<SCMatrixKit> matrixkit_; 00051 00052 RefSCVector x_; 00053 RefSCDimension dim_; 00054 AccResultdouble value_; 00055 AccResultRefSCVector gradient_; 00056 AccResultRefSymmSCMatrix hessian_; 00057 00062 virtual void set_value(double); 00063 virtual void set_gradient(RefSCVector&); 00064 virtual void set_hessian(RefSymmSCMatrix&); 00066 00069 virtual void set_matrixkit(const Ref<SCMatrixKit>&); 00070 virtual void set_dimension(const RefSCDimension&); 00071 00076 virtual void set_actual_value_accuracy(double); 00077 virtual void set_actual_gradient_accuracy(double); 00078 virtual void set_actual_hessian_accuracy(double); 00080 00082 RefSCVector& get_x_reference() { obsolete(); return x_; } 00083 00086 void do_change_coordinates(const Ref<NonlinearTransform>&); 00087 public: 00088 Function(); 00089 Function(StateIn&); 00090 Function(const Function&); 00091 00108 Function(const Ref<KeyVal>&, double funcacc = DBL_EPSILON, 00109 double gradacc = DBL_EPSILON, double hessacc = DBL_EPSILON); 00110 virtual ~Function(); 00111 00112 Function & operator=(const Function&); 00113 00116 Ref<SCMatrixKit> matrixkit() const; 00118 RefSCDimension dimension() const; 00119 00120 virtual void save_data_state(StateOut&); 00121 00123 virtual double value(); 00125 int value_needed() const; 00129 int do_value(int); 00130 AccResultdouble& value_result() { return value_; } 00131 00133 virtual void set_desired_value_accuracy(double); 00135 virtual double actual_value_accuracy() const; 00137 virtual double desired_value_accuracy() const; 00138 00143 virtual RefSCVector gradient(); 00144 int gradient_needed() const; 00145 int do_gradient(int); 00146 virtual void set_desired_gradient_accuracy(double); 00147 virtual double actual_gradient_accuracy() const; 00148 virtual double desired_gradient_accuracy() const; 00149 AccResultRefSCVector& gradient_result() { return gradient_; } 00151 00156 virtual RefSymmSCMatrix hessian(); 00157 int hessian_needed() const; 00158 int do_hessian(int); 00159 virtual void set_desired_hessian_accuracy(double); 00160 virtual double actual_hessian_accuracy() const; 00161 virtual double desired_hessian_accuracy() const; 00162 AccResultRefSymmSCMatrix& hessian_result() { return hessian_; } 00164 00165 // hessian by gradients at finite displacements 00166 // virtual RefSCMatrix fd1_hessian(); 00167 00169 virtual void guess_hessian(RefSymmSCMatrix&); 00170 virtual RefSymmSCMatrix inverse_hessian(RefSymmSCMatrix&); 00171 00174 virtual int value_implemented() const; 00175 virtual int gradient_implemented() const; 00176 virtual int hessian_implemented() const; 00177 00179 virtual void set_x(const RefSCVector&); 00180 RefSCVector get_x() const { return x_.copy(); } 00181 const RefSCVector& get_x_no_copy() const { return x_; } 00182 00189 virtual Ref<NonlinearTransform> change_coordinates(); 00190 00192 virtual void print(std::ostream& = ExEnv::out0()) const; 00193 }; 00194 00195 } 00196 00197 #endif 00198 00199 // Local Variables: 00200 // mode: c++ 00201 // c-file-style: "CLJ" 00202 // End: Generated at Fri Jan 10 08:14:08 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14. |