| [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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|  | 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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| [8c001a] | 24 | class GLMoleculeObject_atom; | 
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|  | 25 | class GLWorldScene; | 
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| [c67518] | 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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| [34e7fdb] | 32 | GLMoleculeObject_molecule(QObject *parent, const molecule *molref); | 
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| [72a4c1] | 33 | GLMoleculeObject_molecule(QGLSceneNode *mesh[], QObject *parent, const molecule *molref); | 
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| [c67518] | 34 | virtual ~GLMoleculeObject_molecule(); | 
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|  | 35 |  | 
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| [d6203a] | 36 | void updateBoundingBox(); | 
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|  | 37 |  | 
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| [c67518] | 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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| [8c001a] | 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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| [2b596f] | 59 | void hoverChanged(const atom&); | 
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|  | 60 | void hoverChanged(const molecule&, int); | 
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| [8c001a] | 61 | void atomClicked(atomId_t no); | 
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| [9a7ef9] | 62 | void moleculeClicked(moleculeId_t no); | 
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| [8c001a] | 63 | void changeAtomId(GLMoleculeObject_atom *, int, int); | 
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|  | 64 |  | 
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|  | 65 | private slots: | 
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|  | 66 | //!> grant GLWorldScene access to private slots | 
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|  | 67 | friend class GLWorldScene; | 
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|  | 68 |  | 
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| [9a7ef9] | 69 | void wasClicked(); | 
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| [8c001a] | 70 | void atomInserted(const atomicNumber_t _id); | 
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|  | 71 | void atomRemoved(const atomicNumber_t _id); | 
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|  | 72 | void bondInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side); | 
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|  | 73 | void bondRemoved(const atomId_t leftnr, const atomId_t rightnr); | 
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|  | 74 | void hoverChangedSignalled(GLMoleculeObject *ob); | 
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|  | 75 |  | 
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| [34e7fdb] | 76 | void setVisible(bool value); | 
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|  | 77 |  | 
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| [c67518] | 78 | private: | 
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| [8c001a] | 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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| [7b5984] | 88 | void updateTesselationHull(); | 
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|  | 89 |  | 
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| [8c001a] | 90 | //!> states whether selection box is additionally drawn or not | 
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|  | 91 | bool isSelected; | 
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| [2b596f] | 92 | bool isBoundingBoxUptodate; | 
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| [c67518] | 93 |  | 
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| [34e7fdb] | 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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| [c67518] | 97 | const molecule *_molecule; | 
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| [8c001a] | 98 |  | 
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| [7b5984] | 99 | bool TesselationHullUptodate; | 
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|  | 100 |  | 
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| [8c001a] | 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 | AtomNodeMap AtomsinSceneMap; | 
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|  | 104 | BondNodeMap BondsinSceneMap; | 
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|  | 105 |  | 
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|  | 106 | const atom *hoverAtom; | 
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| [c67518] | 107 | }; | 
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|  | 108 |  | 
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| [8c001a] | 109 | std::ostream &operator<<(std::ostream &ost, const GLMoleculeObject_molecule::BondIds &t); | 
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| [c67518] | 110 |  | 
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|  | 111 |  | 
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|  | 112 | #endif /* GLMOLECULEOBJECT_MOLECULE_HPP_ */ | 
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