[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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[15c8a9] | 31 | class QtInstanceInformationBoard;
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[ce4126] | 32 |
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[534374] | 33 | class GLMoleculeObject_atom : public GLMoleculeObject, Observer
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[907636] | 34 | {
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[06ebf5] | 35 | Q_OBJECT
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[907636] | 36 | public:
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[026bef] | 37 | GLMoleculeObject_atom(
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| 38 | QGLSceneNode *mesh[],
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| 39 | QObject *parent,
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| 40 | const atomId_t id
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| 41 | );
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| 42 | GLMoleculeObject_atom(
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| 43 | QGLSceneNode *mesh[],
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| 44 | QObject *parent,
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| 45 | const atomId_t id,
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| 46 | std::vector<boost::any> _ObservedValues
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| 47 | );
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[9c18e4] | 48 | virtual ~GLMoleculeObject_atom();
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[7188b1] | 49 |
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[f115cc] | 50 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
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| 51 |
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[7188b1] | 52 | // Observer functions
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| 53 | void update(Observable *publisher);
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| 54 | void subjectKilled(Observable *publisher);
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| 55 | void recieveNotification(Observable *publisher, Notification_ptr notification);
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[06ebf5] | 56 |
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[015f8c] | 57 | public slots:
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| 58 | void Selected();
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| 59 | void Unselected();
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| 60 |
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[06ebf5] | 61 | private slots:
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| 62 | void wasClicked();
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[534374] | 63 | void resetIndex();
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| 64 | void resetElement();
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| 65 | void resetPosition();
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| 66 | void resetBonds();
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[06ebf5] | 67 |
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| 68 | signals:
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| 69 | void clicked(atomId_t);
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[534374] | 70 | void BondsAdded(const atomId_t _left, const atomId_t _right, const GLMoleculeObject_bond::SideOfBond side);
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| 71 | void BondsRemoved(const atomId_t _left, const atomId_t _right);
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| 72 | void indexChanged(GLMoleculeObject_atom *ob, const atomId_t oldId, const atomId_t newId);
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| 73 | void idChanged();
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| 74 | void positionChanged();
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| 75 | void elementChanged();
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| 76 | void bondsChanged();
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[7c7c4a] | 77 | void InstanceRemoved(const atomId_t);
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[907636] | 78 |
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[ce4126] | 79 | private:
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[8c001a] | 80 | //!> grant GLMoleculeObject_molecule acess to reset functions
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| 81 | friend class GLMoleculeObject_molecule;
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[ce4126] | 82 |
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[534374] | 83 | //!> typedef for list of bonds, defined by pairs of atom ids
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| 84 | typedef std::vector< std::pair<atomId_t, atomId_t> > ListOfBonds_t;
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[89b992] | 85 |
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[534374] | 86 | static const atom * const getAtomConst(const atomId_t _id);
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| 87 | static atom * const getAtom(const atomId_t _id);
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| 88 |
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[16bd37] | 89 | static atomId_t updateIndex();
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| 90 | static Vector updatePosition(
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| 91 | const boost::function<const atomId_t ()> &_getAtomIndex);
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| 92 | static atomicNumber_t updateElement(
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| 93 | const boost::function<const atomId_t ()> &_getAtomIndex);
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| 94 | static ListOfBonds_t updateBonds(
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| 95 | const boost::function<const atomId_t ()> &_getAtomIndex);
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[7188b1] | 96 |
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[534374] | 97 | void activateObserver();
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| 98 | void deactivateObserver();
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| 99 |
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[026bef] | 100 | void init(const atomId_t _id);
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| 101 |
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[534374] | 102 | private:
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[f115cc] | 103 |
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[534374] | 104 | //!> current list of bonds to compare new onw against for changes
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| 105 | ListOfBonds_t ListOfBonds;
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| 106 |
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| 107 | //!> temporary variable used in cstor
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| 108 | atom * const atomref;
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| 109 |
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[7c7c4a] | 110 | private:
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[15c8a9] | 111 | friend class QtInstanceInformationBoard;
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[7c7c4a] | 112 | /** Observed Values **/
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| 113 |
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| 114 | //!> enumeration of observed values to match with entries in ObservedValues
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| 115 | enum ObservedTypes {
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| 116 | //!> contains the current atom index
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| 117 | AtomIndex,
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| 118 | //!> contains the current atom position
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| 119 | AtomPosition,
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| 120 | //!> contains the current atom element
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| 121 | AtomElement,
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| 122 | //!> contains the current set of bonds atoms fort the atom
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| 123 | AtomBonds,
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| 124 | //!> gives the size of the enumeration
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| 125 | MAX_ObservedTypes
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| 126 | };
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| 127 |
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| 128 | //!> vector with all observed values
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| 129 | std::vector<boost::any> ObservedValues;
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| 130 |
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| 131 | /** Initializes all \a ObservedValues entries.
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| 132 | *
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[16bd37] | 133 | * \param _ObservedValues vector of ObservedValue to be filled
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[7c7c4a] | 134 | * \param _id atom id
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[16bd37] | 135 | * \param _atomref reference to atom
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| 136 | * \param _subjectKilled ref to function to call on subjectKilled()
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[7c7c4a] | 137 | */
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[16bd37] | 138 | static void initObservedValues(
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| 139 | std::vector<boost::any> &_ObservedValues,
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| 140 | const atomId_t _id,
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| 141 | const atom * const _atomref,
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[026bef] | 142 | const boost::function<void(const atomId_t)> &_subjectKilled);
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[7c7c4a] | 143 |
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| 144 | /** Destroys all \a ObservedValues entries.
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| 145 | *
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[16bd37] | 146 | * \param _ObservedValues vector of ObservedValue to be destroyed
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[7c7c4a] | 147 | */
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[16bd37] | 148 | static void destroyObservedValues(
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| 149 | std::vector<boost::any> &_ObservedValues);
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[7c7c4a] | 150 |
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| 151 | /** Getter to atom index contained in \a ObservedValues.
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| 152 | *
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| 153 | * \return atom's index
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| 154 | */
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| 155 | atomId_t getAtomIndex() const;
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| 156 |
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| 157 | /** Getter to atom position contained in \a ObservedValues.
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| 158 | *
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| 159 | * \return atom's position
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| 160 | */
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| 161 | Vector getAtomPosition() const;
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| 162 |
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| 163 | /** Getter to atom element contained in \a ObservedValues.
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| 164 | *
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| 165 | * \return atom's elemnt
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| 166 | */
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| 167 | atomicNumber_t getAtomElement() const;
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| 168 |
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| 169 | /** Getter to atom bonds contained in \a ObservedValues.
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| 170 | *
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| 171 | * \return atom's bonds
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| 172 | */
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| 173 | ListOfBonds_t getAtomBonds() const;
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| 174 |
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| 175 | /** Counts how many ObservedValues got subjectKilled.
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| 176 | *
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| 177 | * This is used to give InstanceRemoved() signal only when each and every
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| 178 | * ObservedValue (and the instance itself) has been subjectKilled by the
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| 179 | * monitored Observable. Only then can we safely remove the instance.
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| 180 | *
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[026bef] | 181 | * \param _atomid id of atom who signalled subjectKilled()
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[7c7c4a] | 182 | */
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[026bef] | 183 | void countsubjectKilled(const atomId_t _atomid);
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[7c7c4a] | 184 |
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| 185 | //!> counts how many ObservedValues have already been subjectKilled()
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| 186 | mutable size_t subjectKilledCount;
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| 187 |
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| 188 | private:
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[534374] | 189 |
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| 190 | //!> list of channels when index needs to update
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| 191 | static const Observable::channels_t AtomIndexChannels;
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| 192 | //!> list of channels when position needs to update
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| 193 | static const Observable::channels_t AtomPositionChannels;
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| 194 | //!> list of channels when element needs to update
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| 195 | static const Observable::channels_t AtomElementChannels;
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| 196 | //!> list of channels when bonds needs to update
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| 197 | static const Observable::channels_t AtomBondsChannels;
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| 198 |
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| 199 | //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
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| 200 | const Observable *owner;
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[907636] | 201 | };
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| 202 |
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| 203 |
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| 204 |
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| 205 | #endif /* GLMOLECULEOBJECT_ATOM_HPP_ */
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