// // molrender.h // // Copyright (C) 1996 Limit Point Systems, Inc. // // Author: Curtis Janssen // Maintainer: LPS // // This file is part of the SC Toolkit. // // The SC Toolkit is free software; you can redistribute it and/or modify // it under the terms of the GNU Library General Public License as published by // the Free Software Foundation; either version 2, or (at your option) // any later version. // // The SC Toolkit is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the // GNU Library General Public License for more details. // // You should have received a copy of the GNU Library General Public License // along with the SC Toolkit; see the file COPYING.LIB. If not, write to // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. // // The U.S. Government is granted a limited license as per AL 91-7. // #ifdef __GNUC__ #pragma interface #endif #ifndef _chemistry_molecule_molrender_h #define _chemistry_molecule_molrender_h #include #include #include #include #include namespace sc { class RenderedMolecule: public RenderedObject { protected: Ref object_; Ref mol_; Ref atominfo_; public: RenderedMolecule(const Ref& keyval); ~RenderedMolecule(); Ref molecule() { return mol_; } // init must be called if the molecule changes virtual void init() = 0; void render(const Ref&); }; class RenderedStickMolecule: public RenderedMolecule { protected: int use_color_; public: RenderedStickMolecule(const Ref& keyval); ~RenderedStickMolecule(); void init(); }; class RenderedBallMolecule: public RenderedMolecule { protected: public: RenderedBallMolecule(const Ref& keyval); ~RenderedBallMolecule(); void init(); }; class MoleculeColorizer: public DescribedClass { protected: Ref mol_; public: MoleculeColorizer(const Ref &); MoleculeColorizer(const Ref&); ~MoleculeColorizer(); virtual void colorize(const Ref &) = 0; }; class AtomProximityColorizer: public MoleculeColorizer { protected: Ref atominfo_; public: AtomProximityColorizer(const Ref&, const Ref &); AtomProximityColorizer(const Ref &); ~AtomProximityColorizer(); void colorize(const Ref &); }; class RenderedMolecularSurface: public RenderedMolecule { protected: Ref surf_; Ref colorizer_; public: RenderedMolecularSurface(const Ref& keyval); ~RenderedMolecularSurface(); void init(int reinit_surf); void init(); }; } #endif // Local Variables: // mode: c++ // c-file-style: "CLJ" // End: