MPQC  2.3.1
scextrap.h
1 //
2 // scextrap.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_scextrap_h
29 #define _math_optimize_scextrap_h
30 
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34 
35 #include <util/class/class.h>
36 #include <util/state/state.h>
37 #include <util/keyval/keyval.h>
38 
39 namespace sc {
40 
43 class SCExtrapData: public SavableState {
44  public:
46  SCExtrapData();
49  virtual ~SCExtrapData();
50 
52 
54  virtual SCExtrapData* copy() = 0;
56  virtual void zero() = 0;
59  virtual void accumulate_scaled(double scale, const Ref<SCExtrapData>&) = 0;
60 };
61 
62 
65 class SCExtrapError: public SavableState {
66  public:
68  SCExtrapError();
71  virtual ~SCExtrapError();
72 
74 
76  virtual double error() = 0;
78  virtual double scalar_product(const Ref<SCExtrapError>&) = 0;
79 };
80 
81 
88  private:
89  double error_;
90  int errorset_;
91  double tolerance_;
92  protected:
93  void set_error(double e) { error_ = e; errorset_ = 1; }
94  public:
102 
103  void save_data_state(StateOut&);
104 
105  void set_tolerance(double t) { tolerance_ = t; }
106  double tolerance() { return tolerance_; }
107  double error() { return error_; }
108 
109  int converged() { return errorset_? error_ <= tolerance_ : 0; }
110 
111  // Makes a copy of data and returns the extrapolation in
112  // data. A reference to error is saved so a copy must
113  // be given to extrapolate if error could be changed.
114  virtual int extrapolate(const Ref<SCExtrapData>& data,
115  const Ref<SCExtrapError>& error) = 0;
116 
117  // Extrapolation should be started when this is called,
118  // if it hasn't already started. The default starting
119  // point is implemenation dependent. This member might
120  // do nothing in some implementations.
121  virtual void start_extrapolation();
122 
123  virtual void reinitialize() =0;
124 };
125 
126 }
127 
128 #endif
129 
130 // Local Variables:
131 // mode: c++
132 // c-file-style: "CLJ"
133 // End:

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