MPQC  2.3.1
conv.h
1 //
2 // conv.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _math_optimize_conv_h
29 #define _math_optimize_conv_h
30 
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34 
35 #include <util/state/state.h>
36 #include <util/class/class.h>
37 #include <math/scmat/matrix.h>
38 #include <math/optimize/function.h>
39 
40 namespace sc {
41 
42 // //////////////////////////////////////////////////////////////////////
43 
56 class Convergence: virtual public SavableState {
57  protected:
58  RefSCVector grad_;
59  RefSCVector x_;
60  RefSCVector nextx_;
61  int use_max_disp_;
62  double max_disp_;
63  int use_max_grad_;
64  double max_grad_;
65  int use_rms_disp_;
66  double rms_disp_;
67  int use_rms_grad_;
68  double rms_grad_;
69  int use_graddisp_;
70  double graddisp_;
71 
72  void check_conv(const char *heading,
73  double val, double bound,
74  int &pass, int &fail);
75 
76  void set_defaults();
77  public:
78  Convergence();
79  Convergence(double tolerance);
81 
118  Convergence(const Ref<KeyVal>&);
119  virtual ~Convergence();
120 
121  void save_data_state(StateOut&);
122 
124  virtual void get_grad(const Ref<Function> &);
125  virtual void get_x(const Ref<Function> &);
126  virtual void set_nextx(const RefSCVector &);
127 
129  virtual void reset();
130 
132  virtual int converged();
133 };
134 
135 }
136 
137 #endif
138 
139 // Local Variables:
140 // mode: c++
141 // c-file-style: "CLJ"
142 // End:
sc::Convergence::converged
virtual int converged()
Return nonzero if the optimization has converged.
sc::Ref
A template class that maintains references counts.
Definition: ref.h:332
sc::Convergence::reset
virtual void reset()
Set the current gradient and displacement to null.
sc::StateIn
Restores objects that derive from SavableState.
Definition: statein.h:70
sc::Convergence::save_data_state
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
sc::RefSCVector
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition: matrix.h:55
sc::StateOut
Serializes objects that derive from SavableState.
Definition: stateout.h:61
sc::Convergence
The Convergence class is used by the optimizer to determine when an optimization is converged.
Definition: conv.h:56
sc::SavableState
Base class for objects that can save/restore state.
Definition: state.h:46
sc::Convergence::get_grad
virtual void get_grad(const Ref< Function > &)
Set the current gradient and displacement.

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