1 | /*
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2 | * GLMoleculeObject_molecule.hpp
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3 | *
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4 | * Created on: Mar 30, 2012
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5 | * Author: ankele
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6 | */
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7 |
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8 | #ifndef GLMOLECULEOBJECT_MOLECULE_HPP_
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9 | #define GLMOLECULEOBJECT_MOLECULE_HPP_
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10 |
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11 | // include config.h
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12 | #ifdef HAVE_CONFIG_H
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13 | #include <config.h>
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14 | #endif
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15 |
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16 | #include "GLMoleculeObject.hpp"
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17 |
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18 | #include "CodePatterns/Observer/Observer.hpp"
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19 |
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20 | #include "GLMoleculeObject_bond.hpp"
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21 |
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22 | class atom;
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23 | class bond;
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24 | class GLMoleculeObject_atom;
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25 | class GLWorldScene;
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26 | class molecule;
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27 |
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28 | class GLMoleculeObject_molecule : public GLMoleculeObject, public Observer
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29 | {
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30 | Q_OBJECT
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31 | public:
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32 | GLMoleculeObject_molecule(QObject *parent, const moleculeId_t molid);
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33 | GLMoleculeObject_molecule(QGLSceneNode *mesh[], QObject *parent, const moleculeId_t molid);
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34 | virtual ~GLMoleculeObject_molecule();
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35 |
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36 | void updateBoundingBox();
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37 |
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38 | // Observer functions
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39 | void update(Observable *publisher);
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40 | void subjectKilled(Observable *publisher);
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41 | void recieveNotification(Observable *publisher, Notification_ptr notification);
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42 |
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43 | void initialize(QGLView *view, QGLPainter *painter);
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44 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
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45 |
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46 | typedef std::pair< atomId_t, atomId_t> BondIds;
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47 | friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
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48 |
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49 | static BondIds getBondIds(
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50 | const bond::ptr _bond,
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51 | const enum GLMoleculeObject_bond::SideOfBond side);
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52 |
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53 | void selected(const bool _isSelected)
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54 | { isSelected = _isSelected; }
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55 |
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56 | signals:
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57 | void changed();
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58 | void changeOccured();
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59 | void hoverChanged(const atomId_t);
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60 | void hoverChanged(const moleculeId_t, int);
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61 | void atomClicked(atomId_t no);
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62 | void moleculeClicked(moleculeId_t no);
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63 |
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64 | private slots:
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65 | //!> grant GLWorldScene access to private slots
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66 | friend class GLWorldScene;
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67 |
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68 | void wasClicked();
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69 | void atomInserted(const atomicNumber_t _id);
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70 | void atomRemoved(const atomicNumber_t _id);
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71 | void bondInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side);
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72 | void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
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73 | void hoverChangedSignalled(GLMoleculeObject *ob);
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74 | void changeAtomId(GLMoleculeObject_atom *, int, int);
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75 |
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76 | void setVisible(bool value);
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77 |
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78 | private:
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79 | void init();
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80 | void reinit();
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81 |
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82 | void addAtomBonds(
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83 | const bond::ptr &_bond,
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84 | const GLMoleculeObject_bond::SideOfBond _side
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85 | );
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86 | void addAtomBonds(const atom *_atom);
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87 |
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88 | void updateTesselationHull();
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89 |
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90 | //!> states whether selection box is additionally drawn or not
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91 | bool isSelected;
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92 | bool isBoundingBoxUptodate;
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93 |
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94 | //!> whether we are signed on to the associated molecule
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95 | bool isSignedOn;
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96 |
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97 | const moleculeId_t moleculeid;
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98 |
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99 | bool TesselationHullUptodate;
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100 |
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101 | typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
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102 | typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
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103 | typedef std::set< atomId_t > InitAtomNodesSet_t;
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104 | //!> atoms added by init() may also be added by atomsInserted, don't alarm then
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105 | InitAtomNodesSet_t InitAtomNodesSet;
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106 | AtomNodeMap AtomsinSceneMap;
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107 | BondNodeMap BondsinSceneMap;
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108 |
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109 | atomId_t hoverAtomId;
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110 | };
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111 |
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112 | std::ostream &operator<<(std::ostream &ost, const GLMoleculeObject_molecule::BondIds &t);
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113 |
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114 |
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115 | #endif /* GLMOLECULEOBJECT_MOLECULE_HPP_ */
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