MPQC  3.0.0-alpha
molrender.h
1 //
2 // molrender.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _chemistry_molecule_molrender_h
29 #define _chemistry_molecule_molrender_h
30 
31 #include <util/render/object.h>
32 #include <util/keyval/keyval.h>
33 #include <chemistry/molecule/molecule.h>
34 #include <chemistry/molecule/atominfo.h>
35 #include <math/isosurf/surf.h>
36 
37 namespace sc {
38 
40  protected:
41  Ref<RenderedObject> object_;
42  Ref<Molecule> mol_;
43  Ref<AtomInfo> atominfo_;
44 
45  public:
46  RenderedMolecule(const Ref<KeyVal>& keyval);
48 
49  Ref<Molecule> molecule() { return mol_; }
50 
51  // init must be called if the molecule changes
52  virtual void init() = 0;
53 
54  void render(const Ref<Render>&);
55 };
56 
57 
59  protected:
60  int use_color_;
61  public:
62  RenderedStickMolecule(const Ref<KeyVal>& keyval);
64 
65  void init();
66 };
67 
69  protected:
70  public:
71  RenderedBallMolecule(const Ref<KeyVal>& keyval);
73 
74  void init();
75 };
76 
78  protected:
79  Ref<Molecule> mol_;
80  public:
84 
85  virtual void colorize(const Ref<RenderedPolygons> &) = 0;
86 };
87 
88 
90  protected:
91  Ref<AtomInfo> atominfo_;
92  public:
96 
97  void colorize(const Ref<RenderedPolygons> &);
98 };
99 
101  protected:
103  Ref<MoleculeColorizer> colorizer_;
104  public:
105  RenderedMolecularSurface(const Ref<KeyVal>& keyval);
107 
108  void init(int reinit_surf);
109  void init();
110 };
111 
112 }
113 
114 #endif
115 
116 // Local Variables:
117 // mode: c++
118 // c-file-style: "CLJ"
119 // End:
sc::Ref
A template class that maintains references counts.
Definition: ref.h:361
sc::RenderedObject
Definition: object.h:42
sc::RenderedMolecule
Definition: molrender.h:39
sc::AtomProximityColorizer
Definition: molrender.h:89
sc::RenderedMolecularSurface
Definition: molrender.h:100
sc::RenderedStickMolecule
Definition: molrender.h:58
sc::DescribedClass
Classes which need runtime information about themselves and their relationship to other classes can v...
Definition: class.h:233
sc::RenderedBallMolecule
Definition: molrender.h:68
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
sc::MoleculeColorizer
Definition: molrender.h:77

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