MPQC  2.3.1
math/optimize/transform.h
1 //
2 // transform.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_transform_h
29 #define _math_optimize_transform_h
30 
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34 
35 #include <math/scmat/matrix.h>
36 
37 namespace sc {
38 
43  protected:
44  // The linear part of the nonlinear transform. This must
45  // be initialized by derived classes in their
46  // transform_coordinates routine (or the transform
47  // members must be overridden so it is ignored).
48  RefSCMatrix linear_transform_;
49  public:
51 
53  virtual void transform_coordinates(const RefSCVector& x) = 0;
57  virtual void transform_gradient(const RefSCVector& g);
61  virtual void transform_hessian(const RefSymmSCMatrix& h);
65  virtual void transform_ihessian(const RefSymmSCMatrix &ih);
66 };
67 
68 
69 
74  public:
76 
79  void transform_coordinates(const RefSCVector& x);
80  void transform_gradient(const RefSCVector& g);
81  void transform_hessian(const RefSymmSCMatrix& h);
82  void transform_ihessian(const RefSymmSCMatrix &ih);
83 };
84 
85 }
86 
87 #endif
88 
89 // Local Variables:
90 // mode: c++
91 // c-file-style: "CLJ"
92 // End:
The IdentityTransform is a special case of NonlinearTransform were no transformation takes place...
Definition: math/optimize/transform.h:73
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition: matrix.h:55
void transform_hessian(const RefSymmSCMatrix &h)
Transform the hessian to the new coordinate system.
virtual void transform_ihessian(const RefSymmSCMatrix &ih)
Transform the inverse of the hessian.
The base class for all reference counted objects.
Definition: ref.h:194
void transform_gradient(const RefSCVector &g)
Transform the gradient at a point in the new coordinate system.
void transform_coordinates(const RefSCVector &x)
These override the tranformation members of NonlinearTransform and do nothing.
virtual void transform_coordinates(const RefSCVector &x)=0
Transform the coordinates.
virtual void transform_gradient(const RefSCVector &g)
Transform the gradient at a point in the new coordinate system.
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization. ...
Definition: matrix.h:261
Definition: mpqcin.h:13
The NonlinearTransform class transforms between two nonlinear coordinate systems. ...
Definition: math/optimize/transform.h:42
void transform_ihessian(const RefSymmSCMatrix &ih)
Transform the inverse of the hessian.
The RefSCMatrix class is a smart pointer to an SCMatrix specialization.
Definition: matrix.h:135
virtual void transform_hessian(const RefSymmSCMatrix &h)
Transform the hessian to the new coordinate system.

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