[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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[5aaa43] | 5 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
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[94d5ac6] | 6 | *
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| 7 | *
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| 8 | * This file is part of MoleCuilder.
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| 9 | *
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| 10 | * MoleCuilder is free software: you can redistribute it and/or modify
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| 11 | * it under the terms of the GNU General Public License as published by
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| 12 | * the Free Software Foundation, either version 2 of the License, or
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| 13 | * (at your option) any later version.
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| 14 | *
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| 15 | * MoleCuilder is distributed in the hope that it will be useful,
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| 16 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 17 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 18 | * GNU General Public License for more details.
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| 19 | *
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| 20 | * You should have received a copy of the GNU General Public License
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| 21 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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[907636] | 22 | */
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| 23 |
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| 24 | /*
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| 25 | * GLWorldScene.cpp
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| 26 | *
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| 27 | * This is based on the Qt3D example "teaservice", specifically parts of teaservice.cpp.
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| 28 | *
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| 29 | * Created on: Aug 17, 2011
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| 30 | * Author: heber
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| 31 | */
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| 32 |
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| 33 | // include config.h
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| 34 | #ifdef HAVE_CONFIG_H
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| 35 | #include <config.h>
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| 36 | #endif
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| 37 |
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| 38 | #include "GLWorldScene.hpp"
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[d1196d] | 39 | #include <Qt3D/qglview.h>
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[bca99d] | 40 | #include <Qt3D/qglbuilder.h>
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| 41 | #include <Qt3D/qglscenenode.h>
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| 42 | #include <Qt3D/qglsphere.h>
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| 43 | #include <Qt3D/qglcylinder.h>
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[907636] | 44 |
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| 45 | #include "GLMoleculeObject.hpp"
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[7188b1] | 46 | #include "GLMoleculeObject_atom.hpp"
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| 47 | #include "GLMoleculeObject_bond.hpp"
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[c67518] | 48 | #include "GLMoleculeObject_molecule.hpp"
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[f75491] | 49 | #include "GLMoleculeObject_shape.hpp"
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[907636] | 50 |
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| 51 | #include "CodePatterns/MemDebug.hpp"
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| 52 |
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[7188b1] | 53 | #include "CodePatterns/Log.hpp"
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| 54 |
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[0e9ffe] | 55 | #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
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[89643d] | 56 | #include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
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[6966b7] | 57 | #include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
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| 58 | #include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
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[6f0841] | 59 | #include "Atom/atom.hpp"
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[7188b1] | 60 | #include "Bond/bond.hpp"
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[89643d] | 61 | #include "Descriptors/AtomIdDescriptor.hpp"
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[37b2575] | 62 | #include "Helpers/helpers.hpp"
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[85c36d] | 63 | #include "Shapes/ShapeRegistry.hpp"
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[907636] | 64 | #include "molecule.hpp"
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| 65 | #include "World.hpp"
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| 66 |
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[2ad1ec] | 67 | #include <iostream>
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| 68 |
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[ce7fdc] | 69 | using namespace MoleCuilder;
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[907636] | 70 |
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[2ad1ec] | 71 | std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t)
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| 72 | {
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| 73 | ost << t.first << "," << t.second;
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| 74 | return ost;
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| 75 | }
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| 76 |
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[907636] | 77 | GLWorldScene::GLWorldScene(QObject *parent)
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[407638e] | 78 | : QObject(parent),
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| 79 | hoverAtom(NULL)
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[907636] | 80 | {
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[72a4c1] | 81 | int sphereDetails[] = {5, 3, 2, 0};
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| 82 | int cylinderDetails[] = {16, 8, 6, 3};
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| 83 | for (int i=0;i<GLMoleculeObject::DETAILTYPES_MAX;i++){
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| 84 | QGLBuilder emptyBuilder;
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| 85 | meshEmpty[i] = emptyBuilder.finalizedSceneNode();
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| 86 | QGLBuilder sphereBuilder;
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| 87 | sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
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| 88 | meshSphere[i] = sphereBuilder.finalizedSceneNode();
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| 89 | meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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| 90 | QGLBuilder cylinderBuilder;
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| 91 | cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
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| 92 | meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
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| 93 | meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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| 94 | }
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[0a6ff9] | 95 |
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[6966b7] | 96 | setSelectionMode(SelectAtom);
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| 97 |
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[907636] | 98 | init();
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| 99 | }
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| 100 |
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| 101 | GLWorldScene::~GLWorldScene()
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[7188b1] | 102 | {
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| 103 | // remove all elements
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| 104 | GLMoleculeObject::cleanMaterialMap();
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| 105 | }
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[907636] | 106 |
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| 107 | /** Initialise the WorldScene with molecules and atoms from World.
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| 108 | *
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| 109 | */
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| 110 | void GLWorldScene::init()
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| 111 | {
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| 112 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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| 113 |
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| 114 | if (molecules.size() > 0) {
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| 115 | for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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| 116 | Runner != molecules.end();
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| 117 | Runner++) {
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[c67518] | 118 |
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[7188b1] | 119 | for (molecule::const_iterator atomiter = (*Runner)->begin();
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| 120 | atomiter != (*Runner)->end();
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| 121 | ++atomiter) {
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| 122 | // create atom objects in scene
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| 123 | atomInserted(*atomiter);
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| 124 |
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[9c18e4] | 125 | // create bond objects in scene
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[2ad1ec] | 126 | const BondList &bondlist = (*atomiter)->getListOfBonds();
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| 127 | for (BondList::const_iterator bonditer = bondlist.begin();
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| 128 | bonditer != bondlist.end();
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| 129 | ++bonditer) {
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[88c8ec] | 130 | const bond::ptr _bond = *bonditer;
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[2ad1ec] | 131 | const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
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| 132 | GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
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| 133 | bondInserted(_bond, side);
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| 134 | }
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[7188b1] | 135 | }
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[907636] | 136 | }
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| 137 | }
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| 138 | }
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| 139 |
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[7188b1] | 140 | /** Adds an atom to the scene.
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| 141 | *
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| 142 | * @param _atom atom to add
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| 143 | */
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| 144 | void GLWorldScene::atomInserted(const atom *_atom)
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[907636] | 145 | {
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[57a770] | 146 | LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
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[72a4c1] | 147 | GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(meshSphere, this, _atom);
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[37b2575] | 148 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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| 149 | ASSERT(iter == AtomsinSceneMap.end(),
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[7188b1] | 150 | "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
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[37b2575] | 151 | AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
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[7188b1] | 152 | connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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[5a2a06] | 153 | connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
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[407638e] | 154 | connect (atomObject, SIGNAL(hoverChanged(GLMoleculeObject *)), this, SIGNAL(changed()));
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| 155 | connect (atomObject, SIGNAL(hoverChanged(GLMoleculeObject *)), this, SLOT(hoverChangedSignalled(GLMoleculeObject *)));
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[5a2a06] | 156 | connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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[88c8ec] | 157 | connect (atomObject, SIGNAL(BondsInserted(const bond::ptr , const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond::ptr , const GLMoleculeObject_bond::SideOfBond)));
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[30cd0d] | 158 | connect (atomObject, SIGNAL(indexChanged(GLMoleculeObject_atom*, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom*, int, int)));
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[2ad1ec] | 159 | //bondsChanged(_atom);
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[65487f] | 160 | emit changeOccured();
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[7188b1] | 161 | }
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| 162 |
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| 163 | /** Removes an atom from the scene.
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| 164 | *
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| 165 | * @param _atom atom to remove
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| 166 | */
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| 167 | void GLWorldScene::atomRemoved(const atom *_atom)
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| 168 | {
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[57a770] | 169 | LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
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[2ad1ec] | 170 | // bonds are removed by signal coming from ~bond
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[7188b1] | 171 | // remove atoms
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[37b2575] | 172 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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| 173 | ASSERT(iter != AtomsinSceneMap.end(),
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[7188b1] | 174 | "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
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| 175 | GLMoleculeObject_atom *atomObject = iter->second;
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| 176 | atomObject->disconnect();
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[37b2575] | 177 | AtomsinSceneMap.erase(iter);
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[7188b1] | 178 | delete atomObject;
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[65487f] | 179 | emit changeOccured();
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[907636] | 180 | }
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| 181 |
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[3927ef] | 182 | /** ....
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[c67518] | 183 | *
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| 184 | */
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[3927ef] | 185 | void GLWorldScene::worldSelectionChanged()
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[c67518] | 186 | {
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[3927ef] | 187 | LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
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| 188 |
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| 189 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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| 190 |
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| 191 | if (molecules.size() > 0) {
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| 192 | for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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| 193 | Runner != molecules.end();
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| 194 | Runner++) {
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| 195 |
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| 196 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
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| 197 | bool isSelected = World::getInstance().isSelected(*Runner);
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| 198 |
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| 199 | // molecule selected but not in scene?
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| 200 | if (isSelected && (iter == MoleculesinSceneMap.end())){
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| 201 | // -> create new mesh
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[bca99d] | 202 | GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(meshEmpty, this, *Runner);
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[3927ef] | 203 | MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
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| 204 | connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
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| 205 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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| 206 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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| 207 | emit changed();
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| 208 | emit changeOccured();
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| 209 | }
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| 210 |
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| 211 | // molecule not selected but in scene?
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| 212 | if (!isSelected && (iter != MoleculesinSceneMap.end())){
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| 213 | // -> remove from scene
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| 214 | moleculeRemoved(*Runner);
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| 215 | }
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| 216 |
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| 217 | }
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| 218 | }
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[c67518] | 219 | }
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| 220 |
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| 221 | /** Removes a molecule from the scene.
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| 222 | *
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| 223 | * @param _molecule molecule to remove
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| 224 | */
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| 225 | void GLWorldScene::moleculeRemoved(const molecule *_molecule)
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| 226 | {
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[3927ef] | 227 | LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
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[c67518] | 228 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
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[3927ef] | 229 |
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| 230 | // only remove if the molecule is in the scene
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| 231 | // (= is selected)
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| 232 | if (iter != MoleculesinSceneMap.end()){
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| 233 | GLMoleculeObject_molecule *molObject = iter->second;
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| 234 | molObject->disconnect();
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| 235 | MoleculesinSceneMap.erase(iter);
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| 236 | delete molObject;
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| 237 | emit changed();
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| 238 | emit changeOccured();
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| 239 | }
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[c67518] | 240 | }
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| 241 |
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[37b2575] | 242 | /** Adds a bond to the scene.
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[7188b1] | 243 | *
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| 244 | * @param _bond bond to add
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[2ad1ec] | 245 | * @param side which side of the bond (left or right)
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[7188b1] | 246 | */
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[88c8ec] | 247 | void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond side)
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[7188b1] | 248 | {
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[57a770] | 249 | LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
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[2ad1ec] | 250 | //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
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| 251 |
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| 252 | BondIds ids;
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| 253 | switch (side) {
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| 254 | case GLMoleculeObject_bond::left:
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| 255 | ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
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| 256 | break;
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| 257 | case GLMoleculeObject_bond::right:
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| 258 | ids = std::make_pair(_bond->rightatom->getId(), _bond->leftatom->getId());
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| 259 | break;
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[7188b1] | 260 | }
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[2ad1ec] | 261 | #ifndef NDEBUG
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| 262 | BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
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| 263 | ASSERT(iter == BondsinSceneMap.end(),
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| 264 | "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
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| 265 | #endif
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[88c8ec] | 266 | GLMoleculeObject_bond * bondObject =
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[72a4c1] | 267 | new GLMoleculeObject_bond(meshCylinder, this, _bond, side);
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[2ad1ec] | 268 | connect (
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| 269 | bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
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| 270 | this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
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[5a2a06] | 271 | connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
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[2ad1ec] | 272 | BondsinSceneMap.insert( make_pair(ids, bondObject) );
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| 273 | // BondIdsinSceneMap.insert( Leftids );
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[65487f] | 274 | emit changeOccured();
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[7188b1] | 275 | }
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[907636] | 276 |
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[37b2575] | 277 | /** Removes a bond from the scene.
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[7188b1] | 278 | *
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| 279 | * @param _bond bond to remove
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| 280 | */
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[37b2575] | 281 | void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
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[907636] | 282 | {
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[2ad1ec] | 283 | LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
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[7188b1] | 284 | {
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| 285 | // left bond
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[37b2575] | 286 | const BondIds Leftids( make_pair(leftnr, rightnr) );
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| 287 | BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
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| 288 | ASSERT(leftiter != BondsinSceneMap.end(),
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| 289 | "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
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| 290 | +toString(rightnr)+" not on display.");
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[88c8ec] | 291 | //GLMoleculeObject_bond::ptr bondObject = leftiter->second;
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[37b2575] | 292 | BondsinSceneMap.erase(leftiter);
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[2ad1ec] | 293 | //delete bondObject; // is done by signal from bond itself
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| 294 | //LOG(4, "INFO: Still present bonds " << BondsinSceneMap << ".");
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[7188b1] | 295 | }
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[2ad1ec] | 296 |
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[65487f] | 297 | emit changeOccured();
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[7188b1] | 298 | }
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| 299 |
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[f75491] | 300 | /** Adds a shape to the scene.
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| 301 | *
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| 302 | * @param shape shape to be added
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| 303 | */
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[85c36d] | 304 | void GLWorldScene::addShape(Shape &shape)
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[f75491] | 305 | {
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| 306 | GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(shape, this);
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[284551] | 307 | ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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| 308 | ASSERT(iter == ShapesinSceneMap.end(),
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| 309 | "GLWorldScene::addShape() - same shape "+shape.getName()+" added again.");
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| 310 | ShapesinSceneMap.insert( make_pair(shape.getName(), shapeObject) );
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| 311 | }
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| 312 |
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[85c36d] | 313 | void GLWorldScene::removeShape(Shape &shape)
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| 314 | {
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| 315 | ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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[ba6b5c] | 316 | ASSERT(iter != ShapesinSceneMap.end(),
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[85c36d] | 317 | "GLWorldScene::removeShape() - shape "+shape.getName()+" not in scene.");
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[148dde0] | 318 | ShapesinSceneMap.erase(iter);
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[85c36d] | 319 | delete(iter->second);
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| 320 | }
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| 321 |
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| 322 | void GLWorldScene::updateSelectedShapes()
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[284551] | 323 | {
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| 324 | foreach (QObject *obj, children()) {
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| 325 | GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
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[85c36d] | 326 | if (shapeobj){
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| 327 | shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
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| 328 | }
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[284551] | 329 | }
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[f75491] | 330 | }
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| 331 |
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[7188b1] | 332 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
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| 333 | {
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| 334 | // Initialize all of the mesh objects that we have as children.
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| 335 | foreach (QObject *obj, children()) {
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| 336 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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| 337 | if (meshobj)
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| 338 | meshobj->initialize(view, painter);
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| 339 | }
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| 340 | }
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| 341 |
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[72a4c1] | 342 | void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
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[7188b1] | 343 | {
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| 344 | // Draw all of the mesh objects that we have as children.
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| 345 | foreach (QObject *obj, children()) {
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| 346 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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| 347 | if (meshobj)
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[72a4c1] | 348 | meshobj->draw(painter, cameraPlane);
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[7188b1] | 349 | }
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[907636] | 350 | }
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[06ebf5] | 351 |
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[7188b1] | 352 | void GLWorldScene::atomClicked(atomId_t no)
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[907636] | 353 | {
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[57a770] | 354 | LOG(3, "INFO: GLWorldScene - atom " << no << " has been clicked.");
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[89643d] | 355 | const atom *Walker = World::getInstance().getAtom(AtomById(no));
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[6966b7] | 356 | if (selectionMode == SelectAtom){
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| 357 | if (!World::getInstance().isSelected(Walker))
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[f7c7cf] | 358 | SelectionAtomById(std::vector<atomId_t>(1,no));
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[6966b7] | 359 | else
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[f7c7cf] | 360 | SelectionNotAtomById(std::vector<atomId_t>(1,no));
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[6966b7] | 361 | }else if (selectionMode == SelectMolecule){
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| 362 | const molecule *mol = Walker->getMolecule();
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| 363 | ASSERT(mol, "Atom without molecule has been clicked.");
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| 364 | if (!World::getInstance().isSelected(mol))
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| 365 | SelectionMoleculeById(mol->getId());
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| 366 | else
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| 367 | SelectionNotMoleculeById(mol->getId());
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| 368 | }
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[7188b1] | 369 | emit clicked(no);
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[907636] | 370 | }
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[029bb4] | 371 |
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[6966b7] | 372 | void GLWorldScene::setSelectionMode(SelectionModeType mode)
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| 373 | {
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| 374 | selectionMode = mode;
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| 375 | // TODO send update to toolbar
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| 376 | }
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| 377 |
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| 378 | void GLWorldScene::setSelectionModeAtom()
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| 379 | {
|
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| 380 | setSelectionMode(SelectAtom);
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| 381 | }
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| 382 |
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| 383 | void GLWorldScene::setSelectionModeMolecule()
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| 384 | {
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| 385 | setSelectionMode(SelectMolecule);
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| 386 | }
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| 387 |
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[407638e] | 388 | void GLWorldScene::hoverChangedSignalled(GLMoleculeObject *ob)
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| 389 | {
|
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| 390 | // Find the atom, ob corresponds to.
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| 391 | hoverAtom = NULL;
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| 392 | GLMoleculeObject_atom *atomObject = dynamic_cast<GLMoleculeObject_atom *>(ob);
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| 393 | if (atomObject){
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| 394 | for (AtomNodeMap::iterator iter = AtomsinSceneMap.begin();iter != AtomsinSceneMap.end(); ++ iter){
|
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| 395 | if (iter->second == atomObject)
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| 396 | hoverAtom = World::getInstance().getAtom(AtomById(iter->first));
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| 397 | }
|
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| 398 | }
|
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| 399 |
|
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| 400 | // Propagate signal.
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| 401 | emit hoverChanged(hoverAtom);
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| 402 | }
|
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| 403 |
|
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[30cd0d] | 404 | void GLWorldScene::changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newId)
|
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| 405 | {
|
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| 406 | LOG(3, "INFO: GLWorldScene - change atom id " << oldId << " to " << newId << ".");
|
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| 407 | // Remove from map.
|
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| 408 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(oldId);
|
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| 409 | ASSERT(iter != AtomsinSceneMap.end(),
|
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| 410 | "GLWorldScene::objectIdChangedSignalled() - atom with id "+toString(oldId)+" not on display.");
|
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| 411 | GLMoleculeObject_atom *atomObject = iter->second;
|
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| 412 | AtomsinSceneMap.erase(iter);
|
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| 413 |
|
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| 414 | // Reinsert with new id.
|
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| 415 | AtomsinSceneMap.insert( make_pair(newId, atomObject) );
|
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| 416 | }
|
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| 417 |
|
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