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 static ForceLink<RedundMolecularCoor> molecule_force_link_a_; 00045 static ForceLink<CartMolecularCoor> molecule_force_link_b_; 00046 static ForceLink<SymmMolecularCoor> molecule_force_link_c_; 00047 static ForceLink<TaylorMolecularEnergy> molecule_force_link_d_; 00048 static ForceLink<MolecularFrequencies> molecule_force_link_e_; 00049 static ForceLink<RenderedStickMolecule> molecule_force_link_f_; 00050 static ForceLink<RenderedBallMolecule> molecule_force_link_g_; 00051 static ForceLink<RenderedMolecularSurface> molecule_force_link_h_; 00052 static ForceLink<VDWShape> molecule_force_link_i_; 00053 static ForceLink<DiscreteConnollyShape> molecule_force_link_j_; 00054 static ForceLink<ConnollyShape> molecule_force_link_k_; 00055 static ForceLink<FinDispMolecularHessian> molecule_force_link_l_; 00056 00057 #endif /* __PIC__ */ 00058 00059 #endif