| [907636] | 1 | /*
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| 2 | * GLMoleculeObject_atom.hpp
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| 3 | *
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| 4 | * Created on: Aug 17, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef GLMOLECULEOBJECT_ATOM_HPP_
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| 9 | #define GLMOLECULEOBJECT_ATOM_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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| [7c7c4a] | 18 | #include <vector>
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| 19 | #include <boost/any.hpp>
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| 20 |
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| [534374] | 21 | #include "CodePatterns/ObservedValue.hpp"
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| [02ce36] | 22 | #include "CodePatterns/Observer/Observer.hpp"
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| [7188b1] | 23 |
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| [534374] | 24 | #include "LinearAlgebra/Vector.hpp"
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| 25 |
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| [88c8ec] | 26 | #include "Bond/bond.hpp"
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| [917659] | 27 | #include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp"
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| 28 | #include "types.hpp"
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| [907636] | 29 |
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| [ce4126] | 30 | class GLWorldScene;
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| 31 |
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| [534374] | 32 | class GLMoleculeObject_atom : public GLMoleculeObject, Observer
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| [907636] | 33 | {
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| [06ebf5] | 34 | Q_OBJECT
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| [907636] | 35 | public:
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| [917659] | 36 | GLMoleculeObject_atom(QGLSceneNode *mesh[], QObject *parent, const atomId_t id);
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| [9c18e4] | 37 | virtual ~GLMoleculeObject_atom();
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| [7188b1] | 38 |
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| [f115cc] | 39 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
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| 40 |
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| [7188b1] | 41 | // Observer functions
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| 42 | void update(Observable *publisher);
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| 43 | void subjectKilled(Observable *publisher);
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| 44 | void recieveNotification(Observable *publisher, Notification_ptr notification);
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| [06ebf5] | 45 |
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| [015f8c] | 46 | public slots:
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| 47 | void Selected();
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| 48 | void Unselected();
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| 49 |
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| [06ebf5] | 50 | private slots:
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| 51 | void wasClicked();
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| [534374] | 52 | void resetIndex();
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| 53 | void resetElement();
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| 54 | void resetPosition();
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| 55 | void resetBonds();
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| [06ebf5] | 56 |
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| 57 | signals:
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| 58 | void clicked(atomId_t);
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| [534374] | 59 | void BondsAdded(const atomId_t _left, const atomId_t _right, const GLMoleculeObject_bond::SideOfBond side);
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| 60 | void BondsRemoved(const atomId_t _left, const atomId_t _right);
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| 61 | void indexChanged(GLMoleculeObject_atom *ob, const atomId_t oldId, const atomId_t newId);
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| 62 | void idChanged();
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| 63 | void positionChanged();
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| 64 | void elementChanged();
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| 65 | void bondsChanged();
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| [7c7c4a] | 66 | void InstanceRemoved(const atomId_t);
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| [907636] | 67 |
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| [ce4126] | 68 | private:
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| [8c001a] | 69 | //!> grant GLMoleculeObject_molecule acess to reset functions
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| 70 | friend class GLMoleculeObject_molecule;
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| [ce4126] | 71 |
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| [534374] | 72 | //!> typedef for list of bonds, defined by pairs of atom ids
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| 73 | typedef std::vector< std::pair<atomId_t, atomId_t> > ListOfBonds_t;
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| [89b992] | 74 |
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| [534374] | 75 | static const atom * const getAtomConst(const atomId_t _id);
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| 76 | static atom * const getAtom(const atomId_t _id);
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| 77 |
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| 78 | atomId_t updateIndex() const;
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| 79 | Vector updatePosition() const;
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| 80 | atomicNumber_t updateElement() const;
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| 81 | ListOfBonds_t updateBonds() const;
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| [7188b1] | 82 |
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| [534374] | 83 | void activateObserver();
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| 84 | void deactivateObserver();
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| 85 |
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| 86 | private:
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| [f115cc] | 87 |
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| [534374] | 88 | //!> current list of bonds to compare new onw against for changes
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| 89 | ListOfBonds_t ListOfBonds;
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| 90 |
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| 91 | //!> temporary variable used in cstor
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| 92 | atom * const atomref;
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| 93 |
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| [7c7c4a] | 94 | private:
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| 95 | /** Observed Values **/
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| 96 |
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| 97 | //!> enumeration of observed values to match with entries in ObservedValues
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| 98 | enum ObservedTypes {
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| 99 | //!> contains the current atom index
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| 100 | AtomIndex,
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| 101 | //!> contains the current atom position
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| 102 | AtomPosition,
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| 103 | //!> contains the current atom element
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| 104 | AtomElement,
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| 105 | //!> contains the current set of bonds atoms fort the atom
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| 106 | AtomBonds,
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| 107 | //!> gives the size of the enumeration
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| 108 | MAX_ObservedTypes
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| 109 | };
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| 110 |
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| 111 | //!> vector with all observed values
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| 112 | std::vector<boost::any> ObservedValues;
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| 113 |
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| 114 | /** Initializes all \a ObservedValues entries.
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| 115 | *
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| 116 | * \param _id atom id
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| 117 | */
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| 118 | void initObservedValues(const atomId_t _id);
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| 119 |
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| 120 | /** Destroys all \a ObservedValues entries.
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| 121 | *
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| 122 | */
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| 123 | void destroyObservedValues();
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| 124 |
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| 125 | /** Getter to atom index contained in \a ObservedValues.
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| 126 | *
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| 127 | * \return atom's index
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| 128 | */
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| 129 | atomId_t getAtomIndex() const;
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| 130 |
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| 131 | /** Getter to atom position contained in \a ObservedValues.
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| 132 | *
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| 133 | * \return atom's position
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| 134 | */
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| 135 | Vector getAtomPosition() const;
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| 136 |
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| 137 | /** Getter to atom element contained in \a ObservedValues.
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| 138 | *
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| 139 | * \return atom's elemnt
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| 140 | */
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| 141 | atomicNumber_t getAtomElement() const;
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| 142 |
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| 143 | /** Getter to atom bonds contained in \a ObservedValues.
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| 144 | *
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| 145 | * \return atom's bonds
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| 146 | */
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| 147 | ListOfBonds_t getAtomBonds() const;
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| 148 |
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| 149 | /** Counts how many ObservedValues got subjectKilled.
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| 150 | *
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| 151 | * This is used to give InstanceRemoved() signal only when each and every
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| 152 | * ObservedValue (and the instance itself) has been subjectKilled by the
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| 153 | * monitored Observable. Only then can we safely remove the instance.
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| 154 | *
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| 155 | */
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| 156 | void countsubjectKilled();
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| 157 |
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| 158 | //!> counts how many ObservedValues have already been subjectKilled()
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| 159 | mutable size_t subjectKilledCount;
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| 160 |
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| 161 | private:
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| [534374] | 162 |
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| 163 | //!> list of channels when index needs to update
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| 164 | static const Observable::channels_t AtomIndexChannels;
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| 165 | //!> list of channels when position needs to update
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| 166 | static const Observable::channels_t AtomPositionChannels;
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| 167 | //!> list of channels when element needs to update
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| 168 | static const Observable::channels_t AtomElementChannels;
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| 169 | //!> list of channels when bonds needs to update
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| 170 | static const Observable::channels_t AtomBondsChannels;
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| 171 |
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| 172 | //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
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| 173 | const Observable *owner;
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| [907636] | 174 | };
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| 175 |
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| 176 |
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| 177 |
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| 178 | #endif /* GLMOLECULEOBJECT_ATOM_HPP_ */
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