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
39namespace sc {
40
43class SCExtrapData: public SavableState {
44 public:
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
65class SCExtrapError: public SavableState {
66 public:
71 virtual ~SCExtrapError();
72
74
76 virtual double error() = 0;
78 virtual double scalar_product(const Ref<SCExtrapError>&) = 0;
79};
80
81
87class SelfConsistentExtrapolation: public SavableState {
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:
95 SelfConsistentExtrapolation();
96 SelfConsistentExtrapolation(StateIn&);
101 ~SelfConsistentExtrapolation();
102
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:
A template class that maintains references counts.
Definition ref.h:332
SCExtrapData()
Construct a new SCExtrapData.
virtual void accumulate_scaled(double scale, const Ref< SCExtrapData > &)=0
The passed SCExtrapData is accumulated into this after applying the scaling factor.
virtual SCExtrapData * copy()=0
Return a copy of this.
SCExtrapData(StateIn &)
Constructor to restore SCExtrapData from a StateIn object.
virtual void zero()=0
Set this to zero.
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
virtual double scalar_product(const Ref< SCExtrapError > &)=0
Performs a scalar product between this and the given SCExtrapError.
SCExtrapError()
Construct a new SCExtrapError.
virtual double error()=0
Returns some measure of the total error.
SCExtrapError(StateIn &)
Constructor to restore SCExtrapError from a StateIn object.
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
SelfConsistentExtrapolation(const Ref< KeyVal > &)
The only keyword read is tolerance#, which is usually not needed since the objects using SelfConsiste...
Restores objects that derive from SavableState.
Definition statein.h:70
Serializes objects that derive from SavableState.
Definition stateout.h:61

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