linkage.h Source File

00001 //
00002 // linkage.h
00003 //
00004 // Copyright (C) 1996 Limit Point Systems, Inc.
00005 //
00006 // Author: Curtis Janssen <cljanss@ca.sandia.gov>
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 _chemistry_molecule_linkage_h
00029 #define _chemistry_molecule_linkage_h
00030 
00031 #ifndef __PIC__
00032 
00033 #include <chemistry/molecule/coor.h>
00034 #include <chemistry/molecule/taylor.h>
00035 #include <chemistry/molecule/molfreq.h>
00036 #include <chemistry/molecule/molrender.h>
00037 #include <chemistry/molecule/molshape.h>
00038 #include <chemistry/molecule/fdhess.h>
00039 
00040 #include <util/render/linkage.h>
00041 #include <math/scmat/linkage.h>
00042 #include <math/optimize/linkage.h>
00043 
00044 namespace sc {
00045 
00046 static ForceLink<RedundMolecularCoor> molecule_force_link_a_;
00047 static ForceLink<CartMolecularCoor> molecule_force_link_b_;
00048 static ForceLink<SymmMolecularCoor> molecule_force_link_c_;
00049 static ForceLink<TaylorMolecularEnergy> molecule_force_link_d_;
00050 static ForceLink<MolecularFrequencies> molecule_force_link_e_;
00051 static ForceLink<RenderedStickMolecule> molecule_force_link_f_;
00052 static ForceLink<RenderedBallMolecule> molecule_force_link_g_;
00053 static ForceLink<RenderedMolecularSurface> molecule_force_link_h_;
00054 static ForceLink<VDWShape> molecule_force_link_i_;
00055 static ForceLink<DiscreteConnollyShape> molecule_force_link_j_;
00056 static ForceLink<ConnollyShape> molecule_force_link_k_;
00057 static ForceLink<FinDispMolecularHessian> molecule_force_link_l_;
00058 
00059 }
00060 
00061 #endif /* __PIC__ */
00062 
00063 #endif