[c67518] | 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 "CodePatterns/Observer/Observer.hpp"
|
---|
| 19 |
|
---|
| 20 | #include "GLMoleculeObject_bond.hpp"
|
---|
| 21 |
|
---|
| 22 | class atom;
|
---|
| 23 | class bond;
|
---|
[8c001a] | 24 | class GLMoleculeObject_atom;
|
---|
| 25 | class GLWorldScene;
|
---|
[c67518] | 26 | class molecule;
|
---|
| 27 |
|
---|
| 28 | class GLMoleculeObject_molecule : public GLMoleculeObject, public Observer
|
---|
| 29 | {
|
---|
| 30 | Q_OBJECT
|
---|
| 31 | public:
|
---|
[72a4c1] | 32 | GLMoleculeObject_molecule(QGLSceneNode *mesh[], QObject *parent, const molecule *molref);
|
---|
[c67518] | 33 | virtual ~GLMoleculeObject_molecule();
|
---|
| 34 |
|
---|
[d6203a] | 35 | void updateBoundingBox();
|
---|
| 36 |
|
---|
[c67518] | 37 | // Observer functions
|
---|
| 38 | void update(Observable *publisher);
|
---|
| 39 | void subjectKilled(Observable *publisher);
|
---|
| 40 | void recieveNotification(Observable *publisher, Notification_ptr notification);
|
---|
| 41 |
|
---|
[8c001a] | 42 | void initialize(QGLView *view, QGLPainter *painter);
|
---|
| 43 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
|
---|
| 44 |
|
---|
| 45 | typedef std::pair< atomId_t, atomId_t> BondIds;
|
---|
| 46 | friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
|
---|
| 47 |
|
---|
| 48 | static BondIds getBondIds(
|
---|
| 49 | const bond::ptr _bond,
|
---|
| 50 | const enum GLMoleculeObject_bond::SideOfBond side);
|
---|
| 51 |
|
---|
| 52 | void selected(const bool _isSelected)
|
---|
| 53 | { isSelected = _isSelected; }
|
---|
| 54 |
|
---|
| 55 | signals:
|
---|
| 56 | void changed();
|
---|
| 57 | void changeOccured();
|
---|
| 58 | void hoverChanged(const atom*);
|
---|
| 59 | void atomClicked(atomId_t no);
|
---|
| 60 | void changeAtomId(GLMoleculeObject_atom *, int, int);
|
---|
| 61 |
|
---|
| 62 | private slots:
|
---|
| 63 | //!> grant GLWorldScene access to private slots
|
---|
| 64 | friend class GLWorldScene;
|
---|
| 65 |
|
---|
| 66 | void atomInserted(const atomicNumber_t _id);
|
---|
| 67 | void atomRemoved(const atomicNumber_t _id);
|
---|
| 68 | void bondInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side);
|
---|
| 69 | void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
|
---|
| 70 | void hoverChangedSignalled(GLMoleculeObject *ob);
|
---|
| 71 |
|
---|
[c67518] | 72 | private:
|
---|
[8c001a] | 73 | void init();
|
---|
| 74 | void reinit();
|
---|
| 75 |
|
---|
| 76 | void addAtomBonds(
|
---|
| 77 | const bond::ptr &_bond,
|
---|
| 78 | const GLMoleculeObject_bond::SideOfBond _side
|
---|
| 79 | );
|
---|
| 80 | void addAtomBonds(const atom *_atom);
|
---|
| 81 |
|
---|
| 82 | //!> states whether selection box is additionally drawn or not
|
---|
| 83 | bool isSelected;
|
---|
[c67518] | 84 |
|
---|
| 85 | const molecule *_molecule;
|
---|
[8c001a] | 86 |
|
---|
| 87 | typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
|
---|
| 88 | typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
|
---|
| 89 | AtomNodeMap AtomsinSceneMap;
|
---|
| 90 | BondNodeMap BondsinSceneMap;
|
---|
| 91 |
|
---|
| 92 | const atom *hoverAtom;
|
---|
[c67518] | 93 | };
|
---|
| 94 |
|
---|
[8c001a] | 95 | std::ostream &operator<<(std::ostream &ost, const GLMoleculeObject_molecule::BondIds &t);
|
---|
[c67518] | 96 |
|
---|
| 97 |
|
---|
| 98 | #endif /* GLMOLECULEOBJECT_MOLECULE_HPP_ */
|
---|