MPQC 2.3.1

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transform.h

    00001 //
    00002 // transform.h
    00003 //
    00004 // Copyright (C) 1996 Limit Point Systems, Inc.
    00005 //
    00006 // Author: Curtis Janssen <cljanss@limitpt.com>
    00007 // Maintainer: LPS
    00008 //
    00009 // This file is part of the SC Toolkit.
    00010 //
    00011 // The SC Toolkit is free software; you can redistribute it and/or modify
    00012 // it under the terms of the GNU Library General Public License as published by
    00013 // the Free Software Foundation; either version 2, or (at your option)
    00014 // any later version.
    00015 //
    00016 // The SC Toolkit is distributed in the hope that it will be useful,
    00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of
    00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00019 // GNU Library General Public License for more details.
    00020 //
    00021 // You should have received a copy of the GNU Library General Public License
    00022 // along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
    00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
    00024 //
    00025 // The U.S. Government is granted a limited license as per AL 91-7.
    00026 //
    00027
    00028 #ifndef _math_optimize_transform_h
    00029 #define _math_optimize_transform_h
    00030
    00031 #ifdef __GNUC__
    00032 #pragma interface
    00033 #endif
    00034
    00035 #include <math/scmat/matrix.h>
    00036
    00037 namespace sc {
    00038
    00042 class NonlinearTransform: public RefCount {
    00043   protected:
    00044     // The linear part of the nonlinear transform.  This must
    00045     // be initialized by derived classes in their
    00046     // transform_coordinates routine (or the transform
    00047     // members must be overridden so it is ignored).
    00048     RefSCMatrix linear_transform_;
    00049   public:
    00050     ~NonlinearTransform();
    00051
    00053     virtual void transform_coordinates(const RefSCVector& x) = 0;
    00057     virtual void transform_gradient(const RefSCVector& g);
    00061     virtual void transform_hessian(const RefSymmSCMatrix& h);
    00065     virtual void transform_ihessian(const RefSymmSCMatrix &ih);
    00066 };
    00067
    00068
    00069
    00073 class IdentityTransform: public NonlinearTransform {
    00074   public:
    00075     ~IdentityTransform();
    00076
    00079     void transform_coordinates(const RefSCVector& x);
    00080     void transform_gradient(const RefSCVector& g);
    00081     void transform_hessian(const RefSymmSCMatrix& h);
    00082     void transform_ihessian(const RefSymmSCMatrix &ih);
    00083 };
    00084
    00085 }
    00086
    00087 #endif
    00088
    00089 // Local Variables:
    00090 // mode: c++
    00091 // c-file-style: "CLJ"
    00092 // End: