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 <Qt3D/qgeometrydata.h>
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19 |
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20 | #include "CodePatterns/Cacheable.hpp"
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21 | #include "CodePatterns/Observer/Observer.hpp"
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22 | #include "CodePatterns/ObservedValue.hpp"
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23 |
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24 | #include "GLMoleculeObject_bond.hpp"
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25 |
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26 | class atom;
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27 | class bond;
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28 | class GLMoleculeObject_atom;
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29 | class GLWorldScene;
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30 | class molecule;
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31 |
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32 | class GLMoleculeObject_molecule : public GLMoleculeObject, public Observer
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33 | {
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34 | Q_OBJECT
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35 | public:
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36 | GLMoleculeObject_molecule(QObject *parent, const moleculeId_t molid);
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37 | GLMoleculeObject_molecule(QGLSceneNode *mesh[], QObject *parent, const moleculeId_t molid);
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38 | virtual ~GLMoleculeObject_molecule();
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39 |
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40 | // Observer functions
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41 | void update(Observable *publisher);
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42 | void subjectKilled(Observable *publisher);
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43 | void recieveNotification(Observable *publisher, Notification_ptr notification);
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44 |
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45 | void initialize(QGLView *view, QGLPainter *painter);
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46 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
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47 |
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48 | typedef std::pair< atomId_t, atomId_t> BondIds;
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49 | friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
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50 |
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51 | static BondIds getBondIds(
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52 | const bond::ptr _bond,
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53 | const enum GLMoleculeObject_bond::SideOfBond side);
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54 |
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55 | signals:
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56 | void changed();
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57 | void changeOccured();
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58 | void hoverChanged(const atomId_t);
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59 | void hoverChanged(const moleculeId_t, int);
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60 | void indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t);
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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 | void TesselationHullChanged();
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64 | void BoundingBoxChanged();
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65 | void IsSelectedChanged();
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66 | void AtomInserted(const atomId_t _id);
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67 | void AtomRemoved(const atomId_t _id);
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68 | void IdChanged();
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69 |
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70 | private slots:
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71 | //!> grant GLWorldScene access to private slots
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72 | friend class GLWorldScene;
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73 |
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74 | void wasClicked();
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75 | void atomInserted(const atomId_t _id);
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76 | void atomRemoved(const atomId_t _id);
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77 | void bondInserted(const atomId_t, const atomId_t, const GLMoleculeObject_bond::SideOfBond side);
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78 | void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
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79 | void hoverChangedSignalled(GLMoleculeObject *ob);
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80 | void changeAtomId(GLMoleculeObject_atom *, const atomId_t, const atomId_t);
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81 |
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82 | void setVisible(bool value);
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83 |
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84 | void activateObserver();
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85 | void deactivateObserver();
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86 |
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87 | void resetTesselationHull();
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88 | void resetIsSelected();
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89 | void resetBoundingBox();
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90 | void resetAtoms();
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91 | void resetIndex();
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92 |
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93 | private:
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94 | static const molecule * const getMolecule(const moleculeId_t _id);
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95 |
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96 | private:
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97 | void addAtomBonds(
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98 | const bond::ptr &_bond,
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99 | const GLMoleculeObject_bond::SideOfBond _side
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100 | );
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101 | void addAtomBonds(const atom *_atom);
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102 |
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103 | //!> typedef for the internal set of atoms
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104 | typedef std::set<atomId_t> atoms_t;
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105 |
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106 | /** Structure for the required information on the bounding box.
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107 | *
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108 | */
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109 | struct BoundingBoxInfo {
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110 | //!> position of center
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111 | Vector position;
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112 | //!> radius of sphere
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113 | double radius;
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114 | };
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115 |
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116 | /** Structure for the required information on the tesselation hull.
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117 | *
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118 | */
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119 | struct TesselationHullInfo {
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120 | };
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121 |
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122 | QGeometryData updateTesselationHull() const;
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123 | bool updateIsSelected() const;
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124 | BoundingBoxInfo updateBoundingBox() const;
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125 | atoms_t updateAtoms();
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126 | moleculeId_t updateIndex() const;
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127 |
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128 | //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
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129 | const Observable * owner;
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130 |
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131 | //!> internal variable for caching molecule ref in cstor
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132 | const molecule * const molref;
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133 |
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134 | //!> list of channels when contained atoms needs to update
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135 | static const Observable::channels_t AtomsChannels;
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136 | //!> list of channels when tesselation hull needs to update
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137 | static const Observable::channels_t HullChannels;
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138 | //!> list of channels when selection status needs to update
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139 | static const Observable::channels_t SelectionStatusChannels;
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140 | //!> list of channels when bounding box needs to update
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141 | static const Observable::channels_t BoundingBoxChannels;
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142 | //!> list of channels when the index needs to update
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143 | static const Observable::channels_t IndexChannels;
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144 |
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145 | boost::function<moleculeId_t ()> MolIndexUpdater;
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146 | boost::function<QGeometryData ()> TesselationHullUpdater;
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147 | boost::function<bool ()> IsSelectedUpdater;
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148 | boost::function<BoundingBoxInfo ()> BoundingBoxUpdater;
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149 | boost::function<atoms_t ()> PresentAtomsUpdater;
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150 |
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151 | //!> contains the current molecule index
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152 | ObservedValue<moleculeId_t> MolIndex;
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153 | //!> contains current version of the tesselation hull on request
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154 | Cacheable<QGeometryData> TesselationHull;
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155 | //!> contains newest version of the selection status
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156 | ObservedValue<bool> isSelected;
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157 | //!> contains newest version of the bounding box on request
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158 | ObservedValue<BoundingBoxInfo> BoundingBox;
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159 | //!> contains the current live set of atoms for the molecule
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160 | ObservedValue<atoms_t> PresentAtoms;
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161 |
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162 | //!> contains the set of atoms displayed
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163 | atoms_t DisplayedAtoms;
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164 |
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165 | typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
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166 | typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
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167 | AtomNodeMap AtomsinSceneMap;
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168 | BondNodeMap BondsinSceneMap;
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169 |
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170 | atomId_t hoverAtomId;
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171 | };
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172 |
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173 | std::ostream &operator<<(std::ostream &ost, const GLMoleculeObject_molecule::BondIds &t);
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174 |
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175 |
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176 | #endif /* GLMOLECULEOBJECT_MOLECULE_HPP_ */
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