| 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 | * 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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| 29 | #include "CodePatterns/Log.hpp"
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| 30 |
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| 31 | #include "Descriptors/AtomIdDescriptor.hpp"
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| 32 | #include "Element/element.hpp"
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| 33 | #include "LinearAlgebra/Vector.hpp"
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| 34 | #include "World.hpp"
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| 35 |
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| 36 | static QGLSceneNode * createAtom(QObject *parent)
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| 37 | {
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| 38 | QGLBuilder builder;
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| 39 | builder << QGLSphere(0.5);
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| 40 | QGLSceneNode *n = builder.finalizedSceneNode();
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| 41 | n->setParent(parent);
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| 42 | return n;
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| 43 | }
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| 44 |
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| 45 | GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
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| 46 | GLMoleculeObject(createAtom(parent), parent), Observer("GLMoleculeObject_atom"), _atom(atomref)
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| 47 | {
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| 48 | // sign on as observer (obtain non-const instance before)
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| 49 | atomref->signOn(this, atomref->getChannel(AtomObservable::IndexChanged));
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| 50 | atomref->signOn(this, atomref->getChannel(AtomObservable::PositionChanged));
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| 51 | atomref->signOn(this, atomref->getChannel(AtomObservable::ElementChanged));
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| 52 | atomref->signOn(this, atomref->getChannel(AtomObservable::BondsChanged));
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| 53 |
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| 54 | // set the object's id
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| 55 | resetProperties();
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| 56 |
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| 57 | std::cout << "Created sphere for atom " << _atom->getId() << "." << endl;
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| 58 |
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| 59 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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| 60 | }
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| 61 |
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| 62 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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| 63 | {
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| 64 | _atom->signOff(this, _atom->getChannel(AtomObservable::IndexChanged));
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| 65 | _atom->signOff(this, _atom->getChannel(AtomObservable::PositionChanged));
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| 66 | _atom->signOff(this, _atom->getChannel(AtomObservable::ElementChanged));
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| 67 | _atom->signOff(this, _atom->getChannel(AtomObservable::BondsChanged));
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| 68 | }
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| 69 |
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| 70 | void GLMoleculeObject_atom::update(Observable *publisher)
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| 71 | {
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| 72 | LOG(0, "GLMoleculeObject_atom::update() - called fro atom "+toString(_atom->getId())+".");
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| 73 | resetProperties();
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| 74 | }
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| 75 |
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| 76 | void GLMoleculeObject_atom::resetPosition()
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| 77 | {
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| 78 | const Vector Position = _atom->getPosition();
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| 79 | LOG(1, "GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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| 80 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
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| 81 | }
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| 82 |
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| 83 | void GLMoleculeObject_atom::resetElement()
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| 84 | {
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| 85 | size_t elementno = 0;
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| 86 | if (_atom->getType() != NULL) {
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| 87 | elementno = _atom->getType()->getNumber();
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| 88 | } else { // if no element yet, set to hydrogen
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| 89 | elementno = 1;
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| 90 | }
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| 91 | LOG(1, "GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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| 92 |
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| 93 | // set materials
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| 94 | QGLMaterial *elementmaterial = getMaterial(elementno);
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| 95 | ASSERT(elementmaterial != NULL,
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| 96 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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| 97 | setMaterial(elementmaterial);
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| 98 | QGLMaterial *hovermaterial = getMaterial(0); // 0 is the hover material
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| 99 | ASSERT(hovermaterial != NULL,
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| 100 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for hover is NULL.");
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| 101 | setHoverMaterial(hovermaterial);
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| 102 |
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| 103 | // set scale
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| 104 | double radius = 0.;
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| 105 | if (_atom->getType() != NULL) {
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| 106 | radius = _atom->getType()->getVanDerWaalsRadius();
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| 107 | } else {
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| 108 | radius = 0.5;
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| 109 | }
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| 110 | setScale( radius );
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| 111 | }
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| 112 |
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| 113 | void GLMoleculeObject_atom::resetIndex()
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| 114 | {
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| 115 | const size_t atomno = _atom->getId();
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| 116 | LOG(1, "GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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| 117 | setObjectId(atomno);
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| 118 | }
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| 119 |
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| 120 | void GLMoleculeObject_atom::resetProperties()
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| 121 | {
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| 122 | // set position
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| 123 | resetPosition();
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| 124 |
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| 125 | // set element
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| 126 | resetElement();
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| 127 |
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| 128 | // set the object's id
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| 129 | resetIndex();
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| 130 | }
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| 131 |
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| 132 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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| 133 | {}
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| 134 |
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| 135 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 136 | {
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| 137 | LOG(0, "GLMoleculeObject_atom::recieveNotification() - atom "
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| 138 | +toString(_atom->getId())+" got notification type "
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| 139 | +toString(notification->getChannelNo())+".");
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| 140 | switch (notification->getChannelNo()) {
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| 141 | case AtomObservable::ElementChanged:
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| 142 | resetElement();
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| 143 | break;
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| 144 | case AtomObservable::IndexChanged:
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| 145 | resetIndex();
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| 146 | break;
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| 147 | case AtomObservable::PositionChanged:
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| 148 | resetPosition();
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| 149 | break;
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| 150 | case AtomObservable::BondsChanged:
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| 151 | emit BondsChanged(_atom);
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| 152 | break;
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| 153 | default:
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| 154 | //setProperties();
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| 155 | break;
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| 156 | }
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| 157 | }
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| 158 |
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| 159 | void GLMoleculeObject_atom::wasClicked()
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| 160 | {
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| 161 | qDebug("GLMoleculeObject_atom: atom %d has been clicked", _atom->getId());
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| 162 | emit clicked(_atom->getId());
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| 163 | }
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