| 1 | /*
 | 
|---|
| 2 |  * GLMoleculeObject_molecule.hpp
 | 
|---|
| 3 |  *
 | 
|---|
| 4 |  *  Created on: Mar 30, 2012
 | 
|---|
| 5 |  *      Author: ankele
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | #ifndef GLMOLECULEOBJECT_MOLECULE_HPP_
 | 
|---|
| 9 | #define GLMOLECULEOBJECT_MOLECULE_HPP_
 | 
|---|
| 10 | 
 | 
|---|
| 11 | // include config.h
 | 
|---|
| 12 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 13 | #include <config.h>
 | 
|---|
| 14 | #endif
 | 
|---|
| 15 | 
 | 
|---|
| 16 | #include "GLMoleculeObject.hpp"
 | 
|---|
| 17 | 
 | 
|---|
| 18 | #include <Qt3D/qgeometrydata.h>
 | 
|---|
| 19 | 
 | 
|---|
| 20 | #include "UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp"
 | 
|---|
| 21 | 
 | 
|---|
| 22 | #include <map>
 | 
|---|
| 23 | 
 | 
|---|
| 24 | #include <boost/function.hpp>
 | 
|---|
| 25 | 
 | 
|---|
| 26 | #include "CodePatterns/Cacheable.hpp"
 | 
|---|
| 27 | #include "CodePatterns/Observer/Observable.hpp"
 | 
|---|
| 28 | 
 | 
|---|
| 29 | #include "GLMoleculeObject_bond.hpp"
 | 
|---|
| 30 | 
 | 
|---|
| 31 | #include "types.hpp"
 | 
|---|
| 32 | 
 | 
|---|
| 33 | class atom;
 | 
|---|
| 34 | class bond;
 | 
|---|
| 35 | class molecule;
 | 
|---|
| 36 | class GLMoleculeObject_atom;
 | 
|---|
| 37 | class GLWorldScene;
 | 
|---|
| 38 | class QtObservedInstanceBoard;
 | 
|---|
| 39 | 
 | 
|---|
| 40 | class GLMoleculeObject_molecule : public GLMoleculeObject
 | 
|---|
| 41 | {
 | 
|---|
| 42 |   Q_OBJECT
 | 
|---|
| 43 | public:
 | 
|---|
| 44 |   GLMoleculeObject_molecule(
 | 
|---|
| 45 |       QObject *parent,
 | 
|---|
| 46 |       QtObservedInstanceBoard &_board,
 | 
|---|
| 47 |       QtObservedMolecule::ptr _ObservedMolecule);
 | 
|---|
| 48 |   GLMoleculeObject_molecule(
 | 
|---|
| 49 |       QGLSceneNode *mesh[],
 | 
|---|
| 50 |       QObject *parent,
 | 
|---|
| 51 |       QtObservedInstanceBoard &_board,
 | 
|---|
| 52 |       QtObservedMolecule::ptr _ObservedMolecule);
 | 
|---|
| 53 |   virtual ~GLMoleculeObject_molecule();
 | 
|---|
| 54 | 
 | 
|---|
| 55 |   void initialize(QGLView *view, QGLPainter *painter);
 | 
|---|
| 56 |   void draw(QGLPainter *painter, const QVector4D &cameraPlane);
 | 
|---|
| 57 | 
 | 
|---|
| 58 |   typedef std::pair< atomId_t, atomId_t> BondIds;
 | 
|---|
| 59 |   friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
 | 
|---|
| 60 | 
 | 
|---|
| 61 |   static BondIds getBondIds(
 | 
|---|
| 62 |       const bond::ptr _bond,
 | 
|---|
| 63 |       const enum GLMoleculeObject_bond::SideOfBond side);
 | 
|---|
| 64 | 
 | 
|---|
| 65 | signals:
 | 
|---|
| 66 |   void changed();
 | 
|---|
| 67 |   void changeOccured();
 | 
|---|
| 68 |   void hoverChanged(const atomId_t);
 | 
|---|
| 69 |   void hoverChanged(const moleculeId_t, int);
 | 
|---|
| 70 |   void indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t);
 | 
|---|
| 71 |   void atomClicked(atomId_t no);
 | 
|---|
| 72 |   void moleculeClicked(moleculeId_t no);
 | 
|---|
| 73 |   void IsSelectedChanged();
 | 
|---|
| 74 | 
 | 
|---|
| 75 | private slots:
 | 
|---|
| 76 |   //!> grant GLWorldScene access to private slots
 | 
|---|
| 77 |   friend class GLWorldScene;
 | 
|---|
| 78 | 
 | 
|---|
| 79 |   void wasClicked();
 | 
|---|
| 80 |   void atomInserted(const atomId_t _id);
 | 
|---|
| 81 |   void atomRemoved(const atomId_t _id);
 | 
|---|
| 82 |   void bondInserted(const atomId_t, const atomId_t, const GLMoleculeObject_bond::SideOfBond side);
 | 
|---|
| 83 |   void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
 | 
|---|
| 84 |   void hoverChangedSignalled(GLMoleculeObject *ob);
 | 
|---|
| 85 |   void changeAtomId(GLMoleculeObject_atom *, const atomId_t, const atomId_t);
 | 
|---|
| 86 | 
 | 
|---|
| 87 |   void setVisible(bool value);
 | 
|---|
| 88 | 
 | 
|---|
| 89 |   void resetTesselationHull();
 | 
|---|
| 90 |   void resetBoundingBox();
 | 
|---|
| 91 |   void resetIndex();
 | 
|---|
| 92 | 
 | 
|---|
| 93 |   void AtomSelected(const atomId_t _id);
 | 
|---|
| 94 |   void AtomUnselected(const atomId_t _id);
 | 
|---|
| 95 |   void Selected();
 | 
|---|
| 96 |   void Unselected();
 | 
|---|
| 97 | 
 | 
|---|
| 98 | private:
 | 
|---|
| 99 |   void addAtomBonds(
 | 
|---|
| 100 |       const bond::ptr &_bond,
 | 
|---|
| 101 |       const GLMoleculeObject_bond::SideOfBond _side
 | 
|---|
| 102 |       );
 | 
|---|
| 103 | 
 | 
|---|
| 104 |   void init(const moleculeId_t _molid);
 | 
|---|
| 105 | 
 | 
|---|
| 106 |   //!> typedef for the internal set of atoms
 | 
|---|
| 107 |   typedef std::set<atomId_t> atoms_t;
 | 
|---|
| 108 | 
 | 
|---|
| 109 |   /** Getter to contained atoms contained in \a ObservedValues.
 | 
|---|
| 110 |    *
 | 
|---|
| 111 |    * \return molecule's contained atoms
 | 
|---|
| 112 |    */
 | 
|---|
| 113 |   atoms_t getPresentAtoms() const;
 | 
|---|
| 114 | 
 | 
|---|
| 115 | private:
 | 
|---|
| 116 | 
 | 
|---|
| 117 |   //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
 | 
|---|
| 118 |   const Observable * owner;
 | 
|---|
| 119 | 
 | 
|---|
| 120 |   QGeometryData updateTesselationHull() const;
 | 
|---|
| 121 | 
 | 
|---|
| 122 |   //!> list of channels when tesselation hull needs to update
 | 
|---|
| 123 |   static const Observable::channels_t HullChannels;
 | 
|---|
| 124 | 
 | 
|---|
| 125 |   //!> internal variable for caching molecule ref in cstor
 | 
|---|
| 126 |   const molecule * const molref;
 | 
|---|
| 127 | 
 | 
|---|
| 128 |   boost::function<QGeometryData ()> TesselationHullUpdater;
 | 
|---|
| 129 | 
 | 
|---|
| 130 |   //!> contains current version of the tesselation hull on request
 | 
|---|
| 131 |   Cacheable<QGeometryData> TesselationHull;
 | 
|---|
| 132 | 
 | 
|---|
| 133 |   //!> contains the set of atoms displayed
 | 
|---|
| 134 |   atoms_t DisplayedAtoms;
 | 
|---|
| 135 | 
 | 
|---|
| 136 |   typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
 | 
|---|
| 137 |   typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
 | 
|---|
| 138 |   AtomNodeMap AtomsinSceneMap;
 | 
|---|
| 139 |   BondNodeMap BondsinSceneMap;
 | 
|---|
| 140 | 
 | 
|---|
| 141 |   atomId_t hoverAtomId;
 | 
|---|
| 142 | 
 | 
|---|
| 143 |   QtObservedInstanceBoard &board;
 | 
|---|
| 144 | 
 | 
|---|
| 145 |   QtObservedMolecule::ptr ObservedMolecule;
 | 
|---|
| 146 | };
 | 
|---|
| 147 | 
 | 
|---|
| 148 | std::ostream &operator<<(std::ostream &ost, const GLMoleculeObject_molecule::BondIds &t);
 | 
|---|
| 149 | 
 | 
|---|
| 150 | 
 | 
|---|
| 151 | #endif /* GLMOLECULEOBJECT_MOLECULE_HPP_ */
 | 
|---|