MPQC 2.3.1

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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 #ifdef __GNUC__
29 #pragma interface
30 #endif
31
32 #ifndef _chemistry_molecule_molrender_h
33 #define _chemistry_molecule_molrender_h
34
35 #include <util/render/object.h>
36 #include <util/keyval/keyval.h>
37 #include <chemistry/molecule/molecule.h>
38 #include <chemistry/molecule/atominfo.h>
39 #include <math/isosurf/surf.h>
40
41 namespace sc {
42
43 class RenderedMolecule: public RenderedObject {
44 protected:
45 Ref<RenderedObject> object_;
46 Ref<Molecule> mol_;
47 Ref<AtomInfo> atominfo_;
48
49 public:
50 RenderedMolecule(const Ref<KeyVal>& keyval);
51 ~RenderedMolecule();
52
53 Ref<Molecule> molecule() { return mol_; }
54
55 // init must be called if the molecule changes
56 virtual void init() = 0;
57
58 void render(const Ref<Render>&);
59 };
60
61
62 class RenderedStickMolecule: public RenderedMolecule {
63 protected:
64 int use_color_;
65 public:
66 RenderedStickMolecule(const Ref<KeyVal>& keyval);
67 ~RenderedStickMolecule();
68
69 void init();
70 };
71
72 class RenderedBallMolecule: public RenderedMolecule {
73 protected:
74 public:
75 RenderedBallMolecule(const Ref<KeyVal>& keyval);
76 ~RenderedBallMolecule();
77
78 void init();
79 };
80
81 class MoleculeColorizer: public DescribedClass {
82 protected:
83 Ref<Molecule> mol_;
84 public:
85 MoleculeColorizer(const Ref<Molecule> &);
86 MoleculeColorizer(const Ref<KeyVal>&);
87 ~MoleculeColorizer();
88
89 virtual void colorize(const Ref<RenderedPolygons> &) = 0;
90 };
91
92
93 class AtomProximityColorizer: public MoleculeColorizer {
94 protected:
95 Ref<AtomInfo> atominfo_;
96 public:
97 AtomProximityColorizer(const Ref<Molecule>&, const Ref<AtomInfo> &);
98 AtomProximityColorizer(const Ref<KeyVal> &);
99 ~AtomProximityColorizer();
100
101 void colorize(const Ref<RenderedPolygons> &);
102 };
103
104 class RenderedMolecularSurface: public RenderedMolecule {
105 protected:
106 Ref<TriangulatedImplicitSurface> surf_;
107 Ref<MoleculeColorizer> colorizer_;
108 public:
109 RenderedMolecularSurface(const Ref<KeyVal>& keyval);
110 ~RenderedMolecularSurface();
111
112 void init(int reinit_surf);
113 void init();
114 };
115
116 }
117
118 #endif
119
120 // Local Variables:
121 // mode: c++
122 // c-file-style: "CLJ"
123 // End: