| [907636] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| [0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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| [907636] | 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 | * GLMoleculeObject_atom.cpp
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| 10 | *
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| 11 | * Created on: Aug 17, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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| 20 | #include "GLMoleculeObject_atom.hpp"
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| 21 |
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| 22 | #include <Qt3D/qglbuilder.h>
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| 23 | #include <Qt3D/qglscenenode.h>
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| 24 | #include <Qt3D/qglsphere.h>
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| 25 |
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| 26 | #include "CodePatterns/MemDebug.hpp"
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| 27 |
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| 28 | #include "CodePatterns/Assert.hpp"
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| [7188b1] | 29 | #include "CodePatterns/Log.hpp"
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| [02ce36] | 30 | #include "CodePatterns/Observer/Notification.hpp"
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| [907636] | 31 |
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| [7188b1] | 32 | #include "Descriptors/AtomIdDescriptor.hpp"
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| [3bdb6d] | 33 | #include "Element/element.hpp"
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| [907636] | 34 | #include "LinearAlgebra/Vector.hpp"
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| [7188b1] | 35 | #include "World.hpp"
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| [907636] | 36 |
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| 37 | static QGLSceneNode * createAtom(QObject *parent)
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| 38 | {
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| 39 | QGLBuilder builder;
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| 40 | builder << QGLSphere(0.5);
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| 41 | QGLSceneNode *n = builder.finalizedSceneNode();
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| 42 | n->setParent(parent);
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| 43 | return n;
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| 44 | }
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| 45 |
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| [06ebf5] | 46 | GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
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| [7188b1] | 47 | GLMoleculeObject(createAtom(parent), parent), Observer("GLMoleculeObject_atom"), _atom(atomref)
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| 48 | {
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| 49 | // sign on as observer (obtain non-const instance before)
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| [02ce36] | 50 | atomref->signOn(this, AtomObservable::IndexChanged);
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| 51 | atomref->signOn(this, AtomObservable::PositionChanged);
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| 52 | atomref->signOn(this, AtomObservable::ElementChanged);
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| 53 | atomref->signOn(this, AtomObservable::BondsChanged);
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| [7188b1] | 54 |
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| 55 | // set the object's id
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| 56 | resetProperties();
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| 57 |
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| [57a770] | 58 | LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
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| [7188b1] | 59 |
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| 60 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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| 61 | }
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| 62 |
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| [9c18e4] | 63 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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| 64 | {
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| [02ce36] | 65 | _atom->signOff(this, AtomObservable::IndexChanged);
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| 66 | _atom->signOff(this, AtomObservable::PositionChanged);
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| 67 | _atom->signOff(this, AtomObservable::ElementChanged);
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| 68 | _atom->signOff(this, AtomObservable::BondsChanged);
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| [9c18e4] | 69 | }
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| 70 |
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| [7188b1] | 71 | void GLMoleculeObject_atom::update(Observable *publisher)
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| 72 | {
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| [57a770] | 73 | #ifdef LOG_OBSERVER
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| 74 | observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
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| 75 | #endif
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| [7188b1] | 76 | resetProperties();
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| 77 | }
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| 78 |
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| 79 | void GLMoleculeObject_atom::resetPosition()
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| [907636] | 80 | {
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| 81 | const Vector Position = _atom->getPosition();
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| [57a770] | 82 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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| [7188b1] | 83 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
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| 84 | }
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| 85 |
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| 86 | void GLMoleculeObject_atom::resetElement()
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| 87 | {
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| 88 | size_t elementno = 0;
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| 89 | if (_atom->getType() != NULL) {
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| 90 | elementno = _atom->getType()->getNumber();
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| 91 | } else { // if no element yet, set to hydrogen
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| 92 | elementno = 1;
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| 93 | }
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| [57a770] | 94 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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| [907636] | 95 |
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| 96 | // set materials
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| 97 | QGLMaterial *elementmaterial = getMaterial(elementno);
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| 98 | ASSERT(elementmaterial != NULL,
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| 99 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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| 100 | setMaterial(elementmaterial);
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| 101 | QGLMaterial *hovermaterial = getMaterial(0); // 0 is the hover material
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| 102 | ASSERT(hovermaterial != NULL,
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| 103 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for hover is NULL.");
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| 104 | setHoverMaterial(hovermaterial);
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| 105 |
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| [7188b1] | 106 | // set scale
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| 107 | double radius = 0.;
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| 108 | if (_atom->getType() != NULL) {
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| 109 | radius = _atom->getType()->getVanDerWaalsRadius();
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| 110 | } else {
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| 111 | radius = 0.5;
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| 112 | }
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| 113 | setScale( radius );
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| 114 | }
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| 115 |
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| 116 | void GLMoleculeObject_atom::resetIndex()
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| 117 | {
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| 118 | const size_t atomno = _atom->getId();
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| [57a770] | 119 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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| [7188b1] | 120 | setObjectId(atomno);
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| 121 | }
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| 122 |
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| 123 | void GLMoleculeObject_atom::resetProperties()
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| 124 | {
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| [907636] | 125 | // set position
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| [7188b1] | 126 | resetPosition();
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| [907636] | 127 |
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| [7188b1] | 128 | // set element
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| 129 | resetElement();
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| [907636] | 130 |
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| 131 | // set the object's id
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| [7188b1] | 132 | resetIndex();
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| 133 | }
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| [907636] | 134 |
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| [7188b1] | 135 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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| 136 | {}
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| [06ebf5] | 137 |
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| [7188b1] | 138 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 139 | {
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| [57a770] | 140 | #ifdef LOG_OBSERVER
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| 141 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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| 142 | << " received notification from atom " << _atom->getId() << " for channel "
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| 143 | << notification->getChannelNo() << ".";
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| 144 | #endif
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| [7188b1] | 145 | switch (notification->getChannelNo()) {
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| 146 | case AtomObservable::ElementChanged:
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| 147 | resetElement();
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| 148 | break;
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| 149 | case AtomObservable::IndexChanged:
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| 150 | resetIndex();
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| 151 | break;
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| 152 | case AtomObservable::PositionChanged:
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| 153 | resetPosition();
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| 154 | break;
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| [37b2575] | 155 | case AtomObservable::BondsChanged:
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| 156 | emit BondsChanged(_atom);
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| 157 | break;
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| [7188b1] | 158 | default:
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| 159 | //setProperties();
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| 160 | break;
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| 161 | }
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| [06ebf5] | 162 | }
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| 163 |
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| 164 | void GLMoleculeObject_atom::wasClicked()
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| 165 | {
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| [57a770] | 166 | LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
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| [06ebf5] | 167 | emit clicked(_atom->getId());
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| [907636] | 168 | }
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