MPQC 2.3.1

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molrender.h

    00001 //
    00002 // molrender.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 #ifdef __GNUC__
    00029 #pragma interface
    00030 #endif
    00031
    00032 #ifndef _chemistry_molecule_molrender_h
    00033 #define _chemistry_molecule_molrender_h
    00034
    00035 #include <util/render/object.h>
    00036 #include <util/keyval/keyval.h>
    00037 #include <chemistry/molecule/molecule.h>
    00038 #include <chemistry/molecule/atominfo.h>
    00039 #include <math/isosurf/surf.h>
    00040
    00041 namespace sc {
    00042
    00043 class RenderedMolecule: public RenderedObject {
    00044   protected:
    00045     Ref<RenderedObject> object_;
    00046     Ref<Molecule> mol_;
    00047     Ref<AtomInfo> atominfo_;
    00048
    00049   public:
    00050     RenderedMolecule(const Ref<KeyVal>& keyval);
    00051     ~RenderedMolecule();
    00052
    00053     Ref<Molecule> molecule() { return mol_; }
    00054
    00055     // init must be called if the molecule changes
    00056     virtual void init() = 0;
    00057
    00058     void render(const Ref<Render>&);
    00059 };
    00060
    00061
    00062 class RenderedStickMolecule: public RenderedMolecule {
    00063   protected:
    00064     int use_color_;
    00065   public:
    00066     RenderedStickMolecule(const Ref<KeyVal>& keyval);
    00067     ~RenderedStickMolecule();
    00068
    00069     void init();
    00070 };
    00071
    00072 class RenderedBallMolecule: public RenderedMolecule {
    00073   protected:
    00074   public:
    00075     RenderedBallMolecule(const Ref<KeyVal>& keyval);
    00076     ~RenderedBallMolecule();
    00077
    00078     void init();
    00079 };
    00080
    00081 class MoleculeColorizer: public DescribedClass {
    00082   protected:
    00083     Ref<Molecule> mol_;
    00084   public:
    00085     MoleculeColorizer(const Ref<Molecule> &);
    00086     MoleculeColorizer(const Ref<KeyVal>&);
    00087     ~MoleculeColorizer();
    00088
    00089     virtual void colorize(const Ref<RenderedPolygons> &) = 0;
    00090 };
    00091
    00092
    00093 class AtomProximityColorizer: public MoleculeColorizer {
    00094   protected:
    00095     Ref<AtomInfo> atominfo_;
    00096   public:
    00097     AtomProximityColorizer(const Ref<Molecule>&, const Ref<AtomInfo> &);
    00098     AtomProximityColorizer(const Ref<KeyVal> &);
    00099     ~AtomProximityColorizer();
    00100
    00101     void colorize(const Ref<RenderedPolygons> &);
    00102 };
    00103
    00104 class RenderedMolecularSurface: public RenderedMolecule {
    00105   protected:
    00106     Ref<TriangulatedImplicitSurface> surf_;
    00107     Ref<MoleculeColorizer> colorizer_;
    00108   public:
    00109     RenderedMolecularSurface(const Ref<KeyVal>& keyval);
    00110     ~RenderedMolecularSurface();
    00111
    00112     void init(int reinit_surf);
    00113     void init();
    00114 };
    00115
    00116 }
    00117
    00118 #endif
    00119
    00120 // Local Variables:
    00121 // mode: c++
    00122 // c-file-style: "CLJ"
    00123 // End: