| 1 | /*
|
|---|
| 2 | * GLMoleculeObject_atom.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Aug 17, 2011
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef GLMOLECULEOBJECT_ATOM_HPP_
|
|---|
| 9 | #define GLMOLECULEOBJECT_ATOM_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 <vector>
|
|---|
| 19 | #include <boost/any.hpp>
|
|---|
| 20 |
|
|---|
| 21 | #include "CodePatterns/ObservedValue.hpp"
|
|---|
| 22 | #include "CodePatterns/Observer/Observer.hpp"
|
|---|
| 23 |
|
|---|
| 24 | #include "LinearAlgebra/Vector.hpp"
|
|---|
| 25 |
|
|---|
| 26 | #include "Bond/bond.hpp"
|
|---|
| 27 | #include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp"
|
|---|
| 28 | #include "types.hpp"
|
|---|
| 29 |
|
|---|
| 30 | class GLWorldScene;
|
|---|
| 31 |
|
|---|
| 32 | class GLMoleculeObject_atom : public GLMoleculeObject, Observer
|
|---|
| 33 | {
|
|---|
| 34 | Q_OBJECT
|
|---|
| 35 | public:
|
|---|
| 36 | GLMoleculeObject_atom(QGLSceneNode *mesh[], QObject *parent, const atomId_t id);
|
|---|
| 37 | virtual ~GLMoleculeObject_atom();
|
|---|
| 38 |
|
|---|
| 39 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
|
|---|
| 40 |
|
|---|
| 41 | // Observer functions
|
|---|
| 42 | void update(Observable *publisher);
|
|---|
| 43 | void subjectKilled(Observable *publisher);
|
|---|
| 44 | void recieveNotification(Observable *publisher, Notification_ptr notification);
|
|---|
| 45 |
|
|---|
| 46 | public slots:
|
|---|
| 47 | void Selected();
|
|---|
| 48 | void Unselected();
|
|---|
| 49 |
|
|---|
| 50 | private slots:
|
|---|
| 51 | void wasClicked();
|
|---|
| 52 | void resetIndex();
|
|---|
| 53 | void resetElement();
|
|---|
| 54 | void resetPosition();
|
|---|
| 55 | void resetBonds();
|
|---|
| 56 |
|
|---|
| 57 | signals:
|
|---|
| 58 | void clicked(atomId_t);
|
|---|
| 59 | void BondsAdded(const atomId_t _left, const atomId_t _right, const GLMoleculeObject_bond::SideOfBond side);
|
|---|
| 60 | void BondsRemoved(const atomId_t _left, const atomId_t _right);
|
|---|
| 61 | void indexChanged(GLMoleculeObject_atom *ob, const atomId_t oldId, const atomId_t newId);
|
|---|
| 62 | void idChanged();
|
|---|
| 63 | void positionChanged();
|
|---|
| 64 | void elementChanged();
|
|---|
| 65 | void bondsChanged();
|
|---|
| 66 | void InstanceRemoved(const atomId_t);
|
|---|
| 67 |
|
|---|
| 68 | private:
|
|---|
| 69 | //!> grant GLMoleculeObject_molecule acess to reset functions
|
|---|
| 70 | friend class GLMoleculeObject_molecule;
|
|---|
| 71 |
|
|---|
| 72 | //!> typedef for list of bonds, defined by pairs of atom ids
|
|---|
| 73 | typedef std::vector< std::pair<atomId_t, atomId_t> > ListOfBonds_t;
|
|---|
| 74 |
|
|---|
| 75 | static const atom * const getAtomConst(const atomId_t _id);
|
|---|
| 76 | static atom * const getAtom(const atomId_t _id);
|
|---|
| 77 |
|
|---|
| 78 | static atomId_t updateIndex();
|
|---|
| 79 | static Vector updatePosition(
|
|---|
| 80 | const boost::function<const atomId_t ()> &_getAtomIndex);
|
|---|
| 81 | static atomicNumber_t updateElement(
|
|---|
| 82 | const boost::function<const atomId_t ()> &_getAtomIndex);
|
|---|
| 83 | static ListOfBonds_t updateBonds(
|
|---|
| 84 | const boost::function<const atomId_t ()> &_getAtomIndex);
|
|---|
| 85 |
|
|---|
| 86 | void activateObserver();
|
|---|
| 87 | void deactivateObserver();
|
|---|
| 88 |
|
|---|
| 89 | private:
|
|---|
| 90 |
|
|---|
| 91 | //!> current list of bonds to compare new onw against for changes
|
|---|
| 92 | ListOfBonds_t ListOfBonds;
|
|---|
| 93 |
|
|---|
| 94 | //!> temporary variable used in cstor
|
|---|
| 95 | atom * const atomref;
|
|---|
| 96 |
|
|---|
| 97 | private:
|
|---|
| 98 | /** Observed Values **/
|
|---|
| 99 |
|
|---|
| 100 | //!> enumeration of observed values to match with entries in ObservedValues
|
|---|
| 101 | enum ObservedTypes {
|
|---|
| 102 | //!> contains the current atom index
|
|---|
| 103 | AtomIndex,
|
|---|
| 104 | //!> contains the current atom position
|
|---|
| 105 | AtomPosition,
|
|---|
| 106 | //!> contains the current atom element
|
|---|
| 107 | AtomElement,
|
|---|
| 108 | //!> contains the current set of bonds atoms fort the atom
|
|---|
| 109 | AtomBonds,
|
|---|
| 110 | //!> gives the size of the enumeration
|
|---|
| 111 | MAX_ObservedTypes
|
|---|
| 112 | };
|
|---|
| 113 |
|
|---|
| 114 | //!> vector with all observed values
|
|---|
| 115 | std::vector<boost::any> ObservedValues;
|
|---|
| 116 |
|
|---|
| 117 | /** Initializes all \a ObservedValues entries.
|
|---|
| 118 | *
|
|---|
| 119 | * \param _ObservedValues vector of ObservedValue to be filled
|
|---|
| 120 | * \param _id atom id
|
|---|
| 121 | * \param _atomref reference to atom
|
|---|
| 122 | * \param _subjectKilled ref to function to call on subjectKilled()
|
|---|
| 123 | */
|
|---|
| 124 | static void initObservedValues(
|
|---|
| 125 | std::vector<boost::any> &_ObservedValues,
|
|---|
| 126 | const atomId_t _id,
|
|---|
| 127 | const atom * const _atomref,
|
|---|
| 128 | const boost::function<void()> &_subjectKilled);
|
|---|
| 129 |
|
|---|
| 130 | /** Destroys all \a ObservedValues entries.
|
|---|
| 131 | *
|
|---|
| 132 | * \param _ObservedValues vector of ObservedValue to be destroyed
|
|---|
| 133 | */
|
|---|
| 134 | static void destroyObservedValues(
|
|---|
| 135 | std::vector<boost::any> &_ObservedValues);
|
|---|
| 136 |
|
|---|
| 137 | /** Getter to atom index contained in \a ObservedValues.
|
|---|
| 138 | *
|
|---|
| 139 | * \return atom's index
|
|---|
| 140 | */
|
|---|
| 141 | atomId_t getAtomIndex() const;
|
|---|
| 142 |
|
|---|
| 143 | /** Getter to atom position contained in \a ObservedValues.
|
|---|
| 144 | *
|
|---|
| 145 | * \return atom's position
|
|---|
| 146 | */
|
|---|
| 147 | Vector getAtomPosition() const;
|
|---|
| 148 |
|
|---|
| 149 | /** Getter to atom element contained in \a ObservedValues.
|
|---|
| 150 | *
|
|---|
| 151 | * \return atom's elemnt
|
|---|
| 152 | */
|
|---|
| 153 | atomicNumber_t getAtomElement() const;
|
|---|
| 154 |
|
|---|
| 155 | /** Getter to atom bonds contained in \a ObservedValues.
|
|---|
| 156 | *
|
|---|
| 157 | * \return atom's bonds
|
|---|
| 158 | */
|
|---|
| 159 | ListOfBonds_t getAtomBonds() const;
|
|---|
| 160 |
|
|---|
| 161 | /** Counts how many ObservedValues got subjectKilled.
|
|---|
| 162 | *
|
|---|
| 163 | * This is used to give InstanceRemoved() signal only when each and every
|
|---|
| 164 | * ObservedValue (and the instance itself) has been subjectKilled by the
|
|---|
| 165 | * monitored Observable. Only then can we safely remove the instance.
|
|---|
| 166 | *
|
|---|
| 167 | */
|
|---|
| 168 | void countsubjectKilled();
|
|---|
| 169 |
|
|---|
| 170 | //!> counts how many ObservedValues have already been subjectKilled()
|
|---|
| 171 | mutable size_t subjectKilledCount;
|
|---|
| 172 |
|
|---|
| 173 | private:
|
|---|
| 174 |
|
|---|
| 175 | //!> list of channels when index needs to update
|
|---|
| 176 | static const Observable::channels_t AtomIndexChannels;
|
|---|
| 177 | //!> list of channels when position needs to update
|
|---|
| 178 | static const Observable::channels_t AtomPositionChannels;
|
|---|
| 179 | //!> list of channels when element needs to update
|
|---|
| 180 | static const Observable::channels_t AtomElementChannels;
|
|---|
| 181 | //!> list of channels when bonds needs to update
|
|---|
| 182 | static const Observable::channels_t AtomBondsChannels;
|
|---|
| 183 |
|
|---|
| 184 | //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
|
|---|
| 185 | const Observable *owner;
|
|---|
| 186 | };
|
|---|
| 187 |
|
|---|
| 188 |
|
|---|
| 189 |
|
|---|
| 190 | #endif /* GLMOLECULEOBJECT_ATOM_HPP_ */
|
|---|