| 1 | /*
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| 2 |  * Project: MoleCuilder
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| 3 |  * Description: creates and alters molecular systems
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| 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
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| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 |  */
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| 7 | 
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| 8 | /**
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| 9 |  * \file qt-gui.dox
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| 10 |  *
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| 11 |  * Created on: Jan 5, 2012
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| 12 |  *    Author: heber
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| 13 |  */
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| 14 | 
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| 15 | /**
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| 16 |  * \page qt-gui Qt GUI
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| 17 |  *
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| 18 |  * The Qt GUI is the most advanced interface and thus the most complex.
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| 19 |  *
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| 20 |  * In the following we want to explain some of the details that are involved.
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| 21 |  *
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| 22 |  * \section qt-gui-general General Concepts
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| 23 |  *
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| 24 |  * Let us first discuss about the general concepts.
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| 25 |  *
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| 26 |  * MoleCuilder is about atoms, bonds and the molecules made up by them. But
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| 27 |  * there is more: There are fragments, potentials, shapes, and so on.
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| 28 |  *
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| 29 |  * In the Qt GUI all of these are displayed in certain areas of the screen
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| 30 |  * and also in a certain manner:
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| 31 |  * -# the 3D view represents a three-dimensional representation of all atoms,
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| 32 |  *    and their bonds or possibly the molecules they form alone. Also the
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| 33 |  *    bounding box is shown and all selected shapes. Atoms or molecules can
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| 34 |  *    be selected by clicking. The view can be manipulated through rotation
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| 35 |  *    and translation.
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| 36 |  * -# an element list shows all available elements of the period table.
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| 37 |  * -# a molecule list shows all present molecules sorted by their formula.
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| 38 |  * -# a fragment list shows all fragments with their energies and contributions
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| 39 |  * -# a potential list shows all currently instantiated potentials and
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| 40 |  *    gives a 2D plot.
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| 41 |  * -# a shape list displays all currently available shapes, allows to select
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| 42 |  *    them and buttons allow to combine them via boolean operation.
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| 43 |  * -# an info box informs about the current atom/molecule the mouse pointer
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| 44 |  *    is hovering over.
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| 45 |  *
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| 46 |  * So, there are many objects that need to be filled with information and
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| 47 |  * they need to access the World and other singletons in order to obtain
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| 48 |  * this information.
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| 49 |  *
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| 50 |  * One major obstacle, or rather THE major obstacle, is that Qt is threaded,
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| 51 |  * i.e. the Actions are processed in one thread and the Gui does its event
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| 52 |  * processing in another one. Qt's Signal/Slot system is handled via this
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| 53 |  * event system, i.e. a signal launched by one thread may be handled by
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| 54 |  * the slot function in another thread. The Observer/Observable system
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| 55 |  * of the CodePatterns which we used internally/outside Qt's scope does
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| 56 |  * not do this.
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| 57 |  *
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| 58 |  * Also, signals may get delayed. This can happen either deliberately, e.g.
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| 59 |  * there is a QTimer that only updates an object in regular intervals, or
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| 60 |  * because of asynchronous threads. Elsewhen, the slot callback for a
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| 61 |  * certain signal is called directly. For all of these cases we have to
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| 62 |  * accommodate. This is especially problematic with the instantiation and
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| 63 |  * destruction of objects.
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| 64 |  *
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| 65 |  * A clarifying example: Imagine an atom is constructed, the AtomObserver
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| 66 |  * notifies about it, but the information is not processed immediately.
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| 67 |  * Shortly after, the atom is destroyed again before its representation is
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| 68 |  * instantiated in the GUI. Afterwards the GUI attempts to instantiate it
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| 69 |  * but can not longer access the atom for its position and element.
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| 70 |  *
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| 71 |  * The only possible way out is to duplicate information. This is the usual
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| 72 |  * way how to deal with environments with multiple threads. I.e. all the
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| 73 |  * information that the GUI representants of information inside the World
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| 74 |  * needs to be doubled such that when the original information is destroyed
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| 75 |  * the representant can still be accessed as long as needed.
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| 76 |  *
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| 77 |  * \subsection qt-gui-general-observedvalue Observed Value
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| 78 |  *
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| 79 |  * These representants are called \a ObservedValue in CodePatterns and they
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| 80 |  * are used everywhere in the Qt Gui.
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| 81 |  *
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| 82 |  * They contain an internal information, e.g. a boolean, a Vector or even
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| 83 |  * a complex structure such as a Tesselation. They require an updater
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| 84 |  * function to obtain the derived information from the original source. And
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| 85 |  * they signOn to the source in order to be notified either generally on
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| 86 |  * updates or for specific channels only.
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| 87 |  *
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| 88 |  * The ObservedValue will automatically and immediately update its internal
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| 89 |  * representation of the derived information by calling the updater function
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| 90 |  * as soon as it has been informed about the update. Hence, the internal
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| 91 |  * information is always up-to-date and lives beyond the scope of the
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| 92 |  * source of the information until its own destruction. As updates are
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| 93 |  * processed immediately, this pattern only makes sense for "small" pieces
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| 94 |  * of information, i.e. when the updater function is very light-weight and
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| 95 |  * does not do much in terms of using computing resources.
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| 96 |  *
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| 97 |  * Note that there is another concept that is opposite to the observed value,
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| 98 |  * namely the Cacheable. This pattern will update itself only when requested,
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| 99 |  * referred to as "lazy evaluation". Hence, this pattern is used for "large"
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| 100 |  * pieces of information that require more computing resources within the
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| 101 |  * updater. Also, the Cacheable's information can only be obtained as long
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| 102 |  * as the source of information is still alive.
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| 103 |  *
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| 104 |  * Both concepts can be used in threaded environments as mutexed are used to
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| 105 |  * protect read and write accesses.
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| 106 |  *
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| 107 |  * \subsection qt-gui-general-signalslot Observer/Observable and Signal/Slot
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| 108 |  *
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| 109 |  * In the following we refer to Observer/Observable as "O/O" and to Signal/Slot
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| 110 |  * as "S/S".
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| 111 |  *
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| 112 |  * One thing we need to do is to translate between update() or
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| 113 |  * recieveNotification() calls from an Observable and subsequent signal/slot
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| 114 |  * calls. The general idea is to use these ObservedValues as translation
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| 115 |  * points for small pieces of information and Cacheables for larger pieces.
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| 116 |  *
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| 117 |  * However, we need more of these translation points:
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| 118 |  * -# GLWorldView checks for
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| 119 |  *   -# World's MoleculeInserted
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| 120 |  *   -# World's SelectionChanged
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| 121 |  *   -# WorldTime's TimeChanged
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| 122 |  *   -# each molecule's AtomInserted and AtomRemoved
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| 123 |  *   -# AtomObservable's AtomChanged.
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| 124 |  *   -# ShapeRegistry's ShapedAdded, ShapeRemoved, and SelectionChanged
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| 125 |  * -# GLMoleculeObject_molecule checks for
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| 126 |  *   -# molecule's AtomInserted, AtomRemoved, AtomMoved, IndexChanged
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| 127 |  *   -# World's SelectionChanged
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| 128 |  *
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| 129 |  * \section qt-gui-qt3d Qt3D and the way to get atoms and bonds displayed
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| 130 |  *
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| 131 |  * By far the most difficult component of the Qt GUI is the 3D view. So,
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| 132 |  * let us explain it in detail.
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| 133 |  *
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| 134 |  * The general widget making up the view is called \a GLWorldView. It contains
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| 135 |  * the GLWorldScene (i.e. all atoms, bonds, molecules, and shapes). Also
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| 136 |  * the "dreibein" and the domain. It processes key presses and mouse events
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| 137 |  * to manipulate the view. And it also serves as the translator O/O to S/S
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| 138 |  * system.
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| 139 |  *
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| 140 |  * The GLWorldScene contains the actual nodes of the molecular system, i.e.
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| 141 |  * the atoms, bonds, molecules, and shapes. All of these are derived from
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| 142 |  * GLMoleculeObject and have their parent to the instance of the GLWorldScene
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| 143 |  * which goes through its list of children and to call draw() on them.
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| 144 |  *
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| 145 |  * The bottom-most structure is GLMoleculeObject_atom displaying a sphere
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| 146 |  * of an element-specific color at the atom's position. The atom relies
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| 147 |  * on its representants to be contain all required information but it
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| 148 |  * is also signOn() to the atom itself whose O/O are translated to S/S
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| 149 |  * for processing whenever desired.
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| 150 |  *
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| 151 |  * Next comes the GLMoleculeObject_bond which displays a cylinder between
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| 152 |  * two atoms. Actual, a true bond consists of two of these objects. If the
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| 153 |  * bond is between heterogeneous atoms each half will be displayed in the
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| 154 |  * color of the closer atom. These bond objects are not associated with
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| 155 |  * the atoms directly as the are linked to two atoms at the same time. They
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| 156 |  * rely on ObservedValues for position and element of either atom and for
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| 157 |  * the degree of the bond itself.
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| 158 |  *
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| 159 |  * Parallel to these are GLMoleculeObject_shape which display the surface
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| 160 |  * of a selected shape. A shape in general does not change after instantation,
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| 161 |  * hence the shape lives with the information it gets on instantiation till
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| 162 |  * it dies.
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| 163 |  *
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| 164 |  * Finally, the GLMoleculeObject_molecule owns both atoms and bonds. This
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| 165 |  * allows for switching the view between the classical ball-and-stick model
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| 166 |  * and the tesselated surface of the molecule. The latter uses a lot less
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| 167 |  * triangles and thus is faster. Also, it is especially suited for large
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| 168 |  * molecules. The molecule also needs ObservedValues for its bounding box
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| 169 |  * (used to show when it's selected), the index, the selection status,
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| 170 |  * and the list of atom ids. As Cacheable we use the tesselation structure.
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| 171 |  *
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| 172 |  * \section qt-gui-cases Sample cases
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| 173 |  *
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| 174 |  * Let us discuss some cases and how the different instances interact.
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| 175 |  *
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| 176 |  * \section qt-gui-cases-start Start
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| 177 |  *
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| 178 |  * When molecuilder is started, several singletons such as the World and
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| 179 |  * others are instantiated. No atoms are yet present, no bonds, no molecules.
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| 180 |  * Hence, nothing to display yet.
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| 181 |  *
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| 182 |  * Before launching any Action the ActionQueue is forced to wait till the
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| 183 |  * GUI is finished instantiating. This is to ensure that GLWorldView and
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| 184 |  * others are in place to receive signals from the O/O system.
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| 185 |  *
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| 186 |  * When a molecule is loaded, the instantiation of a GLMoleculeObject_molecule
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| 187 |  * does not happen immediately. Hence, GLWorldView listens to the World's
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| 188 |  * MoleculeInserted. On receiving it, it also signOn()s to the molecule
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| 189 |  * to get its subjectKilled(). It translates then these and also all
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| 190 |  * AtomInserted and AtomRemoved to the S/S system as moleculeInserted,
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| 191 |  * moleculeRemoved and atomInserted/atomRemoved respectively, which are
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| 192 |  * processed by the GLWorldScene.
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| 193 |  *
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| 194 |  * The GLWorldScene records any atomInserted/atomRemoved until the molecule
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| 195 |  * has been instantiated. On instantiation all recorded events are played.
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| 196 |  * This is to ensure that there is no overlap in instantiation and signOn()
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| 197 |  * to the molecule. If we would simply get all atoms which are present
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| 198 |  * on processing the molecule's instantiation we might stumble over a signal
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| 199 |  * of a molecule of a just added atom. This occurs frequently as both
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| 200 |  * are very much correlated.
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| 201 |  *
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| 202 |  * GLWorldView keep track of all ObservedMolecules. And GLWorldScene keeps
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| 203 |  * track of all shapes and molecules in the scene. Each
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| 204 |  * GLMoleculeObject_molecule in turn keeps track of all atoms and bonds in
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| 205 |  * its part of the scene.
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| 206 |  *
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| 207 |  * \section QtElementList
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| 208 |  *
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| 209 |  * Lists for each element how often it occurs in the world. Selecting an entry
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| 210 |  * calls SelectionAtomByElementAction to select all atoms of that particular
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| 211 |  * element.
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| 212 |  *
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| 213 |  * Initially, it fills itself by looking at all elements in the World's
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| 214 |  * periodentafel. It also listens to AtomObserver's ElementChanged to know
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| 215 |  * when to update a certain element in its list. By using an internal list
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| 216 |  * for each atom's element, it can update each element's occurrence.
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| 217 |  *
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| 218 |  * \section QtMoleculeList
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| 219 |  *
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| 220 |  * Lists all the molecules currently in the world grouped by their formula.
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| 221 |  * Selecting an entry calls the SelectionMoleculeByIdAction.
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| 222 |  *
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| 223 |  * The QtMoleculeList is also a rather complex beast. It is a tree of
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| 224 |  * rows and each row consists of a number of elements. There are two
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| 225 |  * levels, the group level where the common formula for all molecules
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| 226 |  * is given, and the molecule level where are molecules of this specific
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| 227 |  * formula are summarized.
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| 228 |  *
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| 229 |  * The group items are QStandardItems. Sadly, they are not derived from
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| 230 |  * QObject and hence do not use the S/S system. The group items are
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| 231 |  * directly controlled by the QtMoleculeList.
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| 232 |  *
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| 233 |  * However, the molecule items are different. They are derived from
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| 234 |  * QtMoleculeList and use an ObservedValue internally to contain an always
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| 235 |  * valid copy of the required information. They inform the QtMoleculeList on
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| 236 |  * updates via a callback (as QStandardItem, from which they are also derived,
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| 237 |  * does not use the S/S system). The callback takes care of then also updating
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| 238 |  * the group items and possibly moving the molecule items around, e.g. if
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| 239 |  * their formula has changed they suddenly belong to another group.
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| 240 |  *
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| 241 |  * All items are instantiated by the QtMoleculeItemFactory.
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| 242 |  *
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| 243 |  * QtMoleculeList uses an internal QTimer to only update itself at regular
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| 244 |  * intervals. Hence, updates are processed rather lazily. We keep lists
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| 245 |  * of changes, separated for group and molecule items. And these are processed
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| 246 |  * one after the other at the intervals dictated by the QTimer in
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| 247 |  * updateItemStates().
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| 248 |  *
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| 249 |  * \section QtShapeController
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| 250 |  *
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| 251 |  * This is the interface for the ShapeRegistry. It lists all the shapes in the
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| 252 |  * registry and lets the user select them. It also features buttons to call
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| 253 |  * actions creating and manipulating the selected shapes.
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| 254 |  *
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| 255 |  * As an Observer it handles the following messages from ShapeRegistry:
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| 256 |  *  - ShapeRegistry::ShapeInserted
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| 257 |  *  - ShapeRegistry::ShapeRemoved
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| 258 |  *  - ShapeRegistry::SelectionChanged
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| 259 |  *
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| 260 |  * \section QtInfoBox
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| 261 |  *
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| 262 |  * Shows information about the atom and molecule the cursor is currently hovering
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| 263 |  * over inside the GLWorldView.
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| 264 |  *
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| 265 |  * GLWorldView emits hoverChanged signals (via QT's signal slot mechanism) which
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| 266 |  * the QtInfoBox receives. QtInfoBox then creates its info pages for the atom
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| 267 |  * being transmitted as the signal's parameter.
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| 268 |  *
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| 269 |  * The info pages are Observers for the atom/molecule. When recieving subjectKilled
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| 270 |  * they automatically clear the info box.
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| 271 |  *
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| 272 |  * \date 2015-07-15
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| 273 |  */
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