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sc::Function Class Reference The Function class is an abstract base class that, given a set of coordinates, will compute a value and possibly a gradient and hessian at that point. More... #include <function.h> Inheritance diagram for sc::Function: [legend]Collaboration diagram for sc::Function: [legend]List of all members. Public Methods   Function ()   Function (StateIn &)   Function (const Function &)   Function (const Ref< KeyVal > &, double funcacc=DBL_EPSILON, double gradacc=DBL_EPSILON, double hessacc=DBL_EPSILON)   The keyval constructor reads the following keywords:. More... virtual  ~Function () Function &  operator= (const Function &) Ref< SCMatrixKit >  matrixkit () const   Return the SCMatrixKit used to construct vectors and matrices. RefSCDimension  dimension () const   Return the SCDimension of the problem. virtual void  save_data_state (StateOut &)   Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More... virtual double  value ()   Return the value of the function. int  value_needed () const   Returns nonzero if the current value is not up-to-date. int  do_value (int)   If passed a nonzero number, compute the value the next time compute() is called. More... AccResultdouble &  value_result () virtual void  set_desired_value_accuracy (double)   Set the accuracy to which the value is to be computed. virtual double  actual_value_accuracy () const   Return the accuracy with which the value has been computed. virtual double  desired_value_accuracy () const   Return the accuracy with which the value is to be computed. virtual void  guess_hessian (RefSymmSCMatrix &)   Compute a quick, approximate hessian. virtual RefSymmSCMatrix  inverse_hessian (RefSymmSCMatrix &) virtual int  value_implemented () const   Information about the availability of values, gradients, and hessians. virtual int  gradient_implemented () const virtual int  hessian_implemented () const virtual void  set_x (const RefSCVector &)   Set and retrieve the coordinate values. RefSCVector  get_x () const const RefSCVector &  get_x_no_copy () const virtual Ref< NonlinearTransform >  change_coordinates ()   An optimizer can call change coordinates periodically to give the function an opportunity to change its coordinate system. More... virtual void  print (std::ostream &=ExEnv::out0()) const   Print information about the object. Gradient Members These are analogous to the routines that deal with values, but work with gradients instead. virtual RefSCVector  gradient () int  gradient_needed () const int  do_gradient (int) virtual void  set_desired_gradient_accuracy (double) virtual double  actual_gradient_accuracy () const virtual double  desired_gradient_accuracy () const AccResultRefSCVector &  gradient_result () Hessian Members These are analogous to the routines that deal with values, but work with the hessian instead. virtual RefSymmSCMatrix  hessian () int  hessian_needed () const int  do_hessian (int) virtual void  set_desired_hessian_accuracy (double) virtual double  actual_hessian_accuracy () const virtual double  desired_hessian_accuracy () const AccResultRefSymmSCMatrix &  hessian_result () Protected Methods virtual void  set_matrixkit (const Ref< SCMatrixKit > &)   Set the SCMatrixKit that should be used to construct the requisite vectors and matrices. virtual void  set_dimension (const RefSCDimension &) RefSCVector &  get_x_reference ()   Get read/write access to the coordinates for modification. void  do_change_coordinates (const Ref< NonlinearTransform > &)   Change the coordinate system and apply the given transform to intermediates matrices and vectors. Update Members Update the various computable results. virtual void  set_value (double) virtual void  set_gradient (RefSCVector &) virtual void  set_hessian (RefSymmSCMatrix &) Accuracy Setting Members Set the accuracies with which the various computables have been computed. virtual void  set_actual_value_accuracy (double) virtual void  set_actual_gradient_accuracy (double) virtual void  set_actual_hessian_accuracy (double) Protected Attributes Ref< SCMatrixKit >  matrixkit_   Used to construct new matrices. RefSCVector  x_   The variables. RefSCDimension  dim_   The dimension of x_. AccResultdouble  value_   The value of the function at x_. AccResultRefSCVector  gradient_   The gradient at x_. AccResultRefSymmSCMatrix  hessian_   The hessian at x_. Detailed Description The Function class is an abstract base class that, given a set of coordinates, will compute a value and possibly a gradient and hessian at that point. Constructor & Destructor Documentation sc::Function::Function (  const Ref< KeyVal > &   , double    funcacc = DBL_EPSILON, double    gradacc = DBL_EPSILON, double    hessacc = DBL_EPSILON )    The keyval constructor reads the following keywords:. matrixkit Gives a SCMatrixKit object. If it is not specified, a default SCMatrixKit is selected. value_accuracy Sets the accuracy to which values are computed. The default is the machine accuracy. gradient_accuracy Sets the accuracy to which gradients are computed. The default is the machine accuracy. hessian_accuracy Sets the accuracy to which hessians are computed. The default is the machine accuracy. Member Function Documentation virtual Ref<NonlinearTransform> sc::Function::change_coordinates (    )  [virtual]   An optimizer can call change coordinates periodically to give the function an opportunity to change its coordinate system. A return value of 0 means the coordinates were not changed. Otherwise, a transform object to the new coordinate system is return. The function object applies the transform to any objects it contains. This will obsolete the function data. Reimplemented in sc::MolecularEnergy. int sc::Function::do_value (  int    )    If passed a nonzero number, compute the value the next time compute() is called. Return a nonzero number if the value was previously to be computed. virtual void sc::Function::save_data_state (  StateOut &    )  [virtual]   Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data. Reimplemented from sc::SavableState. Reimplemented in sc::MolecularEnergy. The documentation for this class was generated from the following file: function.h