[907636] | 1 | /*
|
---|
| 2 | * GLMoleculeObject_bond.hpp
|
---|
| 3 | *
|
---|
| 4 | * Created on: Aug 17, 2011
|
---|
| 5 | * Author: heber
|
---|
| 6 | */
|
---|
| 7 |
|
---|
| 8 | #ifndef GLMOLECULEOBJECT_BOND_HPP_
|
---|
| 9 | #define GLMOLECULEOBJECT_BOND_HPP_
|
---|
| 10 |
|
---|
| 11 | // include config.h
|
---|
| 12 | #ifdef HAVE_CONFIG_H
|
---|
| 13 | #include <config.h>
|
---|
| 14 | #endif
|
---|
| 15 |
|
---|
| 16 | #include "GLMoleculeObject.hpp"
|
---|
| 17 |
|
---|
[2ad1ec] | 18 | #include "CodePatterns/Observer/Observer.hpp"
|
---|
[009e2e2] | 19 | #include "CodePatterns/ObservedValue.hpp"
|
---|
| 20 |
|
---|
| 21 | #include "LinearAlgebra/Vector.hpp"
|
---|
[2ad1ec] | 22 |
|
---|
[88c8ec] | 23 | #include "Bond/bond.hpp"
|
---|
[2ad1ec] | 24 | #include "types.hpp"
|
---|
| 25 |
|
---|
[70db8f] | 26 | class atom;
|
---|
[907636] | 27 |
|
---|
[ce4126] | 28 | class GLWorldScene;
|
---|
| 29 |
|
---|
[2ad1ec] | 30 | class GLMoleculeObject_bond : public GLMoleculeObject, public Observer
|
---|
[907636] | 31 | {
|
---|
[06ebf5] | 32 | Q_OBJECT
|
---|
[907636] | 33 | public:
|
---|
[06ebf5] | 34 | enum SideOfBond { left, right };
|
---|
[907636] | 35 |
|
---|
[009e2e2] | 36 | typedef std::pair<atomId_t, atomId_t> bondIds_t;
|
---|
| 37 |
|
---|
| 38 | GLMoleculeObject_bond(QGLSceneNode *mesh[], QObject *parent, const bondIds_t bondIds, const enum SideOfBond side);
|
---|
[2ad1ec] | 39 | virtual ~GLMoleculeObject_bond();
|
---|
| 40 |
|
---|
| 41 | // Observer functions
|
---|
| 42 | void update(Observable *publisher);
|
---|
| 43 | void subjectKilled(Observable *publisher);
|
---|
| 44 | void recieveNotification(Observable *publisher, Notification_ptr notification);
|
---|
[907636] | 45 |
|
---|
[2ad1ec] | 46 | signals:
|
---|
| 47 | void BondRemoved(const atomId_t leftnr, const atomId_t rightnr);
|
---|
[009e2e2] | 48 | void elementChanged();
|
---|
| 49 | void positionChanged();
|
---|
| 50 | void degreeChanged();
|
---|
[907636] | 51 |
|
---|
[009e2e2] | 52 | private slots:
|
---|
[8c001a] | 53 | //!> grant GLMoleculeObject_molecule acess to reset functions
|
---|
| 54 | friend class GLMoleculeObject_molecule;
|
---|
[ce4126] | 55 |
|
---|
[009e2e2] | 56 | /** Recalculates the element of the cylinder representing the bond.
|
---|
| 57 | *
|
---|
| 58 | */
|
---|
| 59 | void resetElement();
|
---|
| 60 |
|
---|
[4b62d3] | 61 | /** Recalculates the position of the cylinder representing the bond.
|
---|
| 62 | *
|
---|
| 63 | */
|
---|
[343a4b] | 64 | void resetPosition();
|
---|
[4b62d3] | 65 |
|
---|
| 66 | /** Recalculates the width of the cylinder representing the bond's degree.
|
---|
| 67 | *
|
---|
| 68 | */
|
---|
| 69 | void resetWidth();
|
---|
| 70 |
|
---|
[009e2e2] | 71 | private:
|
---|
[c60665] | 72 | /** This must be called from subjectKilled() only.
|
---|
| 73 | *
|
---|
| 74 | * We remove from all other Observables in a controlled manner.
|
---|
| 75 | * However, we assume that either bond, leftobservable, or rightobservable
|
---|
| 76 | * called subjectKilled(). Hence, we may still signOff() from all noifications
|
---|
| 77 | * but not from the calling Observable.
|
---|
| 78 | *
|
---|
| 79 | * removeLeftAtom(), removeRightAtom(), removeBond(), and removeChannels()
|
---|
| 80 | * must have been called before (or one of the subjects has been killed).
|
---|
| 81 | *
|
---|
| 82 | */
|
---|
| 83 | void removeMe();
|
---|
| 84 | void removeLeftAtom();
|
---|
| 85 | void removeRightAtom();
|
---|
| 86 | void removeChannels();
|
---|
[009e2e2] | 87 |
|
---|
| 88 | Vector updateLeftPosition() const;
|
---|
| 89 | Vector updateRightPosition() const;
|
---|
| 90 | atomicNumber_t updateLeftElement() const;
|
---|
| 91 | atomicNumber_t updateRightElement() const;
|
---|
| 92 | int updateDegree() const;
|
---|
| 93 |
|
---|
| 94 | static const atom * const getAtomConst(const atomId_t _id);
|
---|
| 95 | static atom * const getAtom(const atomId_t _id);
|
---|
[c60665] | 96 |
|
---|
| 97 | private:
|
---|
[009e2e2] | 98 | //!> id of left bond partner for safely emitting BondRemoved signal
|
---|
[70db8f] | 99 | const atomId_t leftatomId;
|
---|
[009e2e2] | 100 | //!> id of right bond partner for safely emitting BondRemoved signal
|
---|
[70db8f] | 101 | const atomId_t rightatomId;
|
---|
[009e2e2] | 102 |
|
---|
| 103 | //!> temporary variable used in cstor
|
---|
| 104 | const atom * const leftatomref;
|
---|
| 105 | //!> temporary variable used in cstor
|
---|
| 106 | const atom * const rightatomref;
|
---|
| 107 | //!> temporary variable used in cstor
|
---|
| 108 | const bond &bondref;
|
---|
| 109 |
|
---|
[2ad1ec] | 110 | const enum SideOfBond BondSide;
|
---|
[c60665] | 111 |
|
---|
[009e2e2] | 112 | ObservedValue<Vector> leftPosition;
|
---|
| 113 | ObservedValue<Vector> rightPosition;
|
---|
| 114 | ObservedValue<atomicNumber_t> leftElement;
|
---|
| 115 | ObservedValue<atomicNumber_t> rightElement;
|
---|
| 116 | ObservedValue<int> Degree;
|
---|
| 117 |
|
---|
[c60665] | 118 | //!> indicate whether we are signed in to leftobservable
|
---|
| 119 | bool leftobservable_enabled;
|
---|
| 120 | //!> indicate whether we are signed in to rightobservable
|
---|
| 121 | bool rightobservable_enabled;
|
---|
[009e2e2] | 122 | //!> indicate whether we are signed in to bond itself
|
---|
[c60665] | 123 | bool bond_enabled;
|
---|
[009e2e2] | 124 |
|
---|
| 125 | //!> list of channels when position needs to update
|
---|
| 126 | static const Observable::channels_t BondPositionChannels;
|
---|
| 127 | //!>list of channels when degree needs to update
|
---|
| 128 | static const Observable::channels_t BondDegreeChannels;
|
---|
| 129 | //!> list of channels when element needs to update
|
---|
| 130 | static const Observable::channels_t BondElementChannels;
|
---|
[907636] | 131 | };
|
---|
| 132 |
|
---|
| 133 |
|
---|
| 134 |
|
---|
| 135 | #endif /* GLMOLECULEOBJECT_BOND_HPP_ */
|
---|