| [c67518] | 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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| [6c16a0] | 18 | #include <Qt3D/qgeometrydata.h>
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 | 19 | 
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| [494478] | 20 | #include "UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp"
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 | 21 | 
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 | 22 | #include <map>
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 | 23 | 
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| [8688ef] | 24 | #include <boost/function.hpp>
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| [7c7c4a] | 25 | 
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| [6c16a0] | 26 | #include "CodePatterns/Cacheable.hpp"
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| [494478] | 27 | #include "CodePatterns/Observer/Observable.hpp"
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| [c67518] | 28 | 
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 | 29 | #include "GLMoleculeObject_bond.hpp"
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 | 30 | 
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| [494478] | 31 | #include "types.hpp"
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| [e39e7a] | 32 | 
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| [c67518] | 33 | class atom;
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 | 34 | class bond;
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| [494478] | 35 | class molecule;
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| [8c001a] | 36 | class GLMoleculeObject_atom;
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 | 37 | class GLWorldScene;
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| [2f7988] | 38 | class QtObservedInstanceBoard;
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| [c67518] | 39 | 
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| [494478] | 40 | class GLMoleculeObject_molecule : public GLMoleculeObject
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| [c67518] | 41 | {
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 | 42 |   Q_OBJECT
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 | 43 | public:
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| [026bef] | 44 |   GLMoleculeObject_molecule(
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 | 45 |       QObject *parent,
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| [494478] | 46 |       QtObservedInstanceBoard &_board,
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 | 47 |       QtObservedMolecule::ptr _ObservedMolecule);
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| [026bef] | 48 |   GLMoleculeObject_molecule(
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 | 49 |       QGLSceneNode *mesh[],
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 | 50 |       QObject *parent,
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| [494478] | 51 |       QtObservedInstanceBoard &_board,
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 | 52 |       QtObservedMolecule::ptr _ObservedMolecule);
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| [c67518] | 53 |   virtual ~GLMoleculeObject_molecule();
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 | 54 | 
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| [8c001a] | 55 |   void initialize(QGLView *view, QGLPainter *painter);
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 | 56 |   void draw(QGLPainter *painter, const QVector4D &cameraPlane);
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 | 57 | 
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 | 58 |   typedef std::pair< atomId_t, atomId_t> BondIds;
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 | 59 |   friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
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 | 60 | 
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 | 61 |   static BondIds getBondIds(
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 | 62 |       const bond::ptr _bond,
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 | 63 |       const enum GLMoleculeObject_bond::SideOfBond side);
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 | 64 | 
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 | 65 | signals:
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 | 66 |   void changed();
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 | 67 |   void changeOccured();
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| [704d59] | 68 |   void hoverChanged(const atomId_t);
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 | 69 |   void hoverChanged(const moleculeId_t, int);
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| [6c16a0] | 70 |   void indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t);
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| [8c001a] | 71 |   void atomClicked(atomId_t no);
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| [9a7ef9] | 72 |   void moleculeClicked(moleculeId_t no);
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| [6c16a0] | 73 |   void IsSelectedChanged();
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| [8c001a] | 74 | 
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 | 75 | private slots:
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 | 76 |   //!> grant GLWorldScene access to private slots
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 | 77 |   friend class GLWorldScene;
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 | 78 | 
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| [9a7ef9] | 79 |   void wasClicked();
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| [2f76d2] | 80 |   void atomInserted(const atomId_t _id);
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 | 81 |   void atomRemoved(const atomId_t _id);
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| [6c16a0] | 82 |   void bondInserted(const atomId_t, const atomId_t, const GLMoleculeObject_bond::SideOfBond side);
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| [8c001a] | 83 |   void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
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 | 84 |   void hoverChangedSignalled(GLMoleculeObject *ob);
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| [6c16a0] | 85 |   void changeAtomId(GLMoleculeObject_atom *, const atomId_t, const atomId_t);
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| [8c001a] | 86 | 
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| [34e7fdb] | 87 |   void setVisible(bool value);
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 | 88 | 
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| [6c16a0] | 89 |   void resetTesselationHull();
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 | 90 |   void resetBoundingBox();
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 | 91 |   void resetIndex();
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 | 92 | 
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| [015f8c] | 93 |   void AtomSelected(const atomId_t _id);
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 | 94 |   void AtomUnselected(const atomId_t _id);
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 | 95 |   void Selected();
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 | 96 |   void Unselected();
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 | 97 | 
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| [c67518] | 98 | private:
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| [8c001a] | 99 |   void addAtomBonds(
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 | 100 |       const bond::ptr &_bond,
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 | 101 |       const GLMoleculeObject_bond::SideOfBond _side
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 | 102 |       );
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 | 103 | 
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| [494478] | 104 |   void init(const moleculeId_t _molid);
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 | 105 | 
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| [6c16a0] | 106 |   //!> typedef for the internal set of atoms
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 | 107 |   typedef std::set<atomId_t> atoms_t;
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 | 108 | 
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| [8d5fbf1] | 109 |   /** Getter to contained atoms contained in \a ObservedValues.
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 | 110 |    *
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 | 111 |    * \return molecule's contained atoms
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 | 112 |    */
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 | 113 |   atoms_t getPresentAtoms() const;
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 | 114 | 
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| [494478] | 115 | private:
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 | 116 | 
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| [6c16a0] | 117 |   //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
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 | 118 |   const Observable * owner;
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 | 119 | 
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| [494478] | 120 |   QGeometryData updateTesselationHull() const;
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| [6c16a0] | 121 | 
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 | 122 |   //!> list of channels when tesselation hull needs to update
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 | 123 |   static const Observable::channels_t HullChannels;
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| [7c7c4a] | 124 | 
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| [494478] | 125 |   //!> internal variable for caching molecule ref in cstor
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 | 126 |   const molecule * const molref;
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| [8688ef] | 127 | 
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 | 128 |   boost::function<QGeometryData ()> TesselationHullUpdater;
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 | 129 | 
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| [6c16a0] | 130 |   //!> contains current version of the tesselation hull on request
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 | 131 |   Cacheable<QGeometryData> TesselationHull;
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 | 132 | 
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 | 133 |   //!> contains the set of atoms displayed
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 | 134 |   atoms_t DisplayedAtoms;
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| [7b5984] | 135 | 
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| [8c001a] | 136 |   typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
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 | 137 |   typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
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 | 138 |   AtomNodeMap AtomsinSceneMap;
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 | 139 |   BondNodeMap BondsinSceneMap;
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 | 140 | 
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| [704d59] | 141 |   atomId_t hoverAtomId;
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| [8d5fbf1] | 142 | 
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| [494478] | 143 |   QtObservedInstanceBoard &board;
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| [8d5fbf1] | 144 | 
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| [494478] | 145 |   QtObservedMolecule::ptr ObservedMolecule;
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| [c67518] | 146 | };
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 | 147 | 
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| [8c001a] | 148 | std::ostream &operator<<(std::ostream &ost, const GLMoleculeObject_molecule::BondIds &t);
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| [c67518] | 149 | 
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 | 150 | 
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 | 151 | #endif /* GLMOLECULEOBJECT_MOLECULE_HPP_ */
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