[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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[8c001a] | 62 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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[37b2575] | 63 | #include "Helpers/helpers.hpp"
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[85c36d] | 64 | #include "Shapes/ShapeRegistry.hpp"
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[907636] | 65 | #include "molecule.hpp"
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| 66 | #include "World.hpp"
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| 67 |
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[2ad1ec] | 68 | #include <iostream>
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| 69 |
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[ce7fdc] | 70 | using namespace MoleCuilder;
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[907636] | 71 |
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| 72 | GLWorldScene::GLWorldScene(QObject *parent)
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[8c001a] | 73 | : QObject(parent)
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[907636] | 74 | {
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[72a4c1] | 75 | int sphereDetails[] = {5, 3, 2, 0};
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| 76 | int cylinderDetails[] = {16, 8, 6, 3};
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| 77 | for (int i=0;i<GLMoleculeObject::DETAILTYPES_MAX;i++){
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| 78 | QGLBuilder emptyBuilder;
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[8c001a] | 79 | GLMoleculeObject::meshEmpty[i] = emptyBuilder.finalizedSceneNode();
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[72a4c1] | 80 | QGLBuilder sphereBuilder;
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| 81 | sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
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[8c001a] | 82 | GLMoleculeObject::meshSphere[i] = sphereBuilder.finalizedSceneNode();
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| 83 | GLMoleculeObject::meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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[72a4c1] | 84 | QGLBuilder cylinderBuilder;
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| 85 | cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
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[8c001a] | 86 | GLMoleculeObject::meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
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| 87 | GLMoleculeObject::meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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[72a4c1] | 88 | }
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[0a6ff9] | 89 |
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[ce4126] | 90 | connect(this, SIGNAL(updated()), this, SLOT(update()));
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| 91 |
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[8c001a] | 92 |
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[6966b7] | 93 | setSelectionMode(SelectAtom);
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| 94 |
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[907636] | 95 | init();
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| 96 | }
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| 97 |
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| 98 | GLWorldScene::~GLWorldScene()
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[7188b1] | 99 | {
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| 100 | // remove all elements
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| 101 | GLMoleculeObject::cleanMaterialMap();
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| 102 | }
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[907636] | 103 |
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| 104 | /** Initialise the WorldScene with molecules and atoms from World.
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| 105 | *
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| 106 | */
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| 107 | void GLWorldScene::init()
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| 108 | {
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[8c001a] | 109 | const std::vector<molecule *> &molecules = World::getInstance().getAllMolecules();
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| 110 |
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| 111 | for (std::vector<molecule*>::const_iterator moliter = molecules.begin();
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| 112 | moliter != molecules.end();
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| 113 | moliter++) {
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| 114 | // create molecule objects in scene
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| 115 | moleculeInserted(*moliter);
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[ce4126] | 116 | }
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| 117 | }
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[c67518] | 118 |
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[ce4126] | 119 | /** Update the WorldScene with molecules and atoms from World.
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| 120 | *
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| 121 | * This function should be called after e.g. WorldTime::TimeChanged was
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| 122 | * received or after another molecule has been loaded.
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| 123 | *
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| 124 | */
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| 125 | void GLWorldScene::update()
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| 126 | {
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[8c001a] | 127 | const std::vector<molecule *> &molecules = World::getInstance().getAllMolecules();
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| 128 |
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| 129 | for (std::vector<molecule*>::const_iterator moliter = molecules.begin();
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| 130 | moliter != molecules.end();
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| 131 | moliter++) {
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| 132 | // check whether molecule already exists
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| 133 | const moleculeId_t molid = (*moliter)->getId();
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| 134 | const bool mol_present = MoleculesinSceneMap.count(molid);
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| 135 | if (!mol_present)
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| 136 | moleculeInserted(*moliter);
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[907636] | 137 | }
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| 138 | }
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| 139 |
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[8c001a] | 140 | void GLWorldScene::atomClicked(atomId_t no)
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| 141 | {
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| 142 | LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
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| 143 | const atom *Walker = World::getInstance().getAtom(AtomById(no));
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| 144 | if (selectionMode == SelectAtom){
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| 145 | if (!World::getInstance().isSelected(Walker))
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| 146 | SelectionAtomById(std::vector<atomId_t>(1,no));
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| 147 | else
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| 148 | SelectionNotAtomById(std::vector<atomId_t>(1,no));
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| 149 | }else if (selectionMode == SelectMolecule){
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| 150 | const molecule *mol = Walker->getMolecule();
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| 151 | ASSERT(mol, "Atom without molecule has been clicked.");
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[d7cad1] | 152 | molids_t ids(1, mol->getId());
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[8c001a] | 153 | if (!World::getInstance().isSelected(mol))
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[d7cad1] | 154 | SelectionMoleculeById(ids);
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[8c001a] | 155 | else
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[d7cad1] | 156 | SelectionNotMoleculeById(ids);
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[8c001a] | 157 | }
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| 158 | emit clicked(no);
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| 159 | }
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| 160 |
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[9a7ef9] | 161 | void GLWorldScene::moleculeClicked(moleculeId_t no)
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| 162 | {
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| 163 | LOG(3, "INFO: GLMoleculeObject_molecule - mol " << no << " has been clicked.");
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| 164 | const molecule *mol= World::getInstance().getMolecule(MoleculeById(no));
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| 165 | ASSERT(mol, "Atom without molecule has been clicked.");
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[d7cad1] | 166 | molids_t ids(1, mol->getId());
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[9a7ef9] | 167 | if (!World::getInstance().isSelected(mol))
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[d7cad1] | 168 | SelectionMoleculeById(ids);
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[9a7ef9] | 169 | else
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[d7cad1] | 170 | SelectionNotMoleculeById(ids);
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[9a7ef9] | 171 | emit clicked(no);
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| 172 | }
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| 173 |
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[8c001a] | 174 |
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[7188b1] | 175 | /** Adds an atom to the scene.
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| 176 | *
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| 177 | * @param _atom atom to add
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| 178 | */
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[8c001a] | 179 | void GLWorldScene::atomInserted(const atomId_t _id)
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[907636] | 180 | {
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[beadd0] | 181 | LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_id)+".");
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[8c001a] | 182 | // find associated molecule
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| 183 | const moleculeId_t molid = World::getInstance().getAtom(AtomById(_id))->getMolecule()->getId();
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| 184 | MoleculeNodeMap::const_iterator moliter = MoleculesinSceneMap.find(molid );
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| 185 | ASSERT(moliter != MoleculesinSceneMap.end(),
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| 186 | "GLWorldScene::atomAdded() - molecule with id of "+toString(molid)
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| 187 | +" atom with id "+toString(_id)+" is unknown.");
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| 188 | GLMoleculeObject_molecule *molObject = moliter->second;
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| 189 |
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| 190 | // add atom to internal list
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| 191 | #ifndef NDEBUG
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| 192 | AtomMoleculeMap::const_iterator atomiter = AtomsinSceneMap.find(_id);
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| 193 | ASSERT(atomiter == AtomsinSceneMap.end(),
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| 194 | "GLWorldScene::atomRemoved() - atom "+toString(_id)+" already known.");
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| 195 | #endif
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| 196 | AtomsinSceneMap.insert( std::make_pair( _id, molObject ));
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| 197 |
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| 198 | // inform its GlMoleculeObject_molecule.
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| 199 | molObject->atomInserted(_id);
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| 200 |
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| 201 | // emit change
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[65487f] | 202 | emit changeOccured();
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[7188b1] | 203 | }
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| 204 |
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| 205 | /** Removes an atom from the scene.
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| 206 | *
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[c48ac12] | 207 | * We just the id as the atom might have already been destroyed.
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| 208 | *
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| 209 | * @param _id id of atom to remove
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[7188b1] | 210 | */
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[8c001a] | 211 | void GLWorldScene::atomRemoved(const atomId_t _id)
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[7188b1] | 212 | {
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[c48ac12] | 213 | LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_id)+".");
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[8c001a] | 214 | // find associated molecule
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| 215 | AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(_id);
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[37b2575] | 216 | ASSERT(iter != AtomsinSceneMap.end(),
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[c48ac12] | 217 | "GLWorldScene::atomRemoved() - atom "+toString(_id)+" not on display.");
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[8c001a] | 218 | GLMoleculeObject_molecule *molObject = iter->second;
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| 219 |
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| 220 | // remove from internal list
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[37b2575] | 221 | AtomsinSceneMap.erase(iter);
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[8c001a] | 222 |
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| 223 | // inform its GlMoleculeObject_molecule.
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| 224 | molObject->atomRemoved(_id);
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| 225 |
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| 226 | // emit change
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[65487f] | 227 | emit changeOccured();
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[907636] | 228 | }
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| 229 |
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[3927ef] | 230 | /** ....
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[c67518] | 231 | *
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| 232 | */
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[3927ef] | 233 | void GLWorldScene::worldSelectionChanged()
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[c67518] | 234 | {
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[3927ef] | 235 | LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
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| 236 |
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| 237 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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| 238 |
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| 239 | if (molecules.size() > 0) {
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| 240 | for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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| 241 | Runner != molecules.end();
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| 242 | Runner++) {
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| 243 |
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| 244 | // molecule selected but not in scene?
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[8c001a] | 245 | const bool isSelected = World::getInstance().isSelected(*Runner);
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| 246 | if (isSelected){
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| 247 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
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| 248 | ASSERT( iter != MoleculesinSceneMap.end(),
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| 249 | "GLWorldScene::worldSelectionChanged() - selected molecule is unknown.");
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| 250 | GLMoleculeObject_molecule *molObject = iter->second;
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| 251 | // inform molecule object
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| 252 | molObject->selected(isSelected);
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[3927ef] | 253 | }
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| 254 | }
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| 255 | }
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[c67518] | 256 | }
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| 257 |
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[8c001a] | 258 | /** Inserts a molecule into the scene.
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[c67518] | 259 | *
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[8c001a] | 260 | * @param _mol molecule to insert
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[c67518] | 261 | */
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[8c001a] | 262 | void GLWorldScene::moleculeInserted(const molecule * _mol)
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[c67518] | 263 | {
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[8c001a] | 264 | LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_mol->getId())+".");
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| 265 | MoleculeNodeMap::const_iterator iter = MoleculesinSceneMap.find(_mol->getId());
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| 266 | ASSERT( iter == MoleculesinSceneMap.end(),
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| 267 | "GLWorldScene::moleculeInserted() - molecule's id "+toString(_mol->getId())+" already present.");
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| 268 |
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| 269 | // add new object
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| 270 | GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(GLMoleculeObject::meshEmpty, this, _mol);
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| 271 | MoleculesinSceneMap.insert( make_pair(_mol->getId(), molObject) );
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| 272 | connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
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| 273 | connect (molObject, SIGNAL(changeOccured()), this, SIGNAL(changeOccured()));
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| 274 | connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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[9a7ef9] | 275 | connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
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[8c001a] | 276 | connect (molObject, SIGNAL(changeAtomId(GLMoleculeObject_atom *, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom *, int, int)));
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| 277 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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| 278 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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[2b596f] | 279 | connect (molObject, SIGNAL(hoverChanged(const atom &)), this, SIGNAL(hoverChanged(const atom &)));
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| 280 | connect (molObject, SIGNAL(hoverChanged(const molecule &, int)), this, SIGNAL(hoverChanged(const molecule &, int)));
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[8c001a] | 281 | emit changed();
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| 282 | emit changeOccured();
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[c67518] | 283 | }
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| 284 |
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[8c001a] | 285 | /** Removes a molecule from the scene.
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[7188b1] | 286 | *
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[8c001a] | 287 | * @param _id id of molecule to remove
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[7188b1] | 288 | */
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[8c001a] | 289 | void GLWorldScene::moleculeRemoved(const moleculeId_t _id)
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[7188b1] | 290 | {
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[8c001a] | 291 | LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
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| 292 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
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| 293 | ASSERT( iter != MoleculesinSceneMap.end(),
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| 294 | "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
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| 295 |
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| 296 | GLMoleculeObject_molecule *molObject = iter->second;
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| 297 | molObject->disconnect();
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| 298 | MoleculesinSceneMap.erase(iter);
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| 299 | delete molObject;
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| 300 | emit changed();
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| 301 | emit changeOccured();
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[ce4126] | 302 | }
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| 303 |
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[739ee9] | 304 | void GLWorldScene::moleculesVisibilityChanged(const moleculeId_t _id, bool _visible)
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| 305 | {
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| 306 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
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| 307 | ASSERT( iter != MoleculesinSceneMap.end(),
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| 308 | "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
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| 309 |
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| 310 | GLMoleculeObject_molecule *molObject = iter->second;
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| 311 | molObject->setVisible(_visible);
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| 312 |
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| 313 | emit changed();
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| 314 | emit changeOccured();
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| 315 | }
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| 316 |
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[ce4126] | 317 | /** Adds a bond to the scene.
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| 318 | *
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| 319 | * @param _bond bond to add
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| 320 | * @param side which side of the bond (left or right)
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| 321 | */
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| 322 | void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond _side)
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| 323 | {
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| 324 | LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
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| 325 | //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
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[8c001a] | 326 | // bond partners must both belong to same atom
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| 327 | ASSERT( _bond->leftatom->getMolecule() == _bond->rightatom->getMolecule(),
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| 328 | "GLWorldScene::bondInserted() - bond partners do not belong to same molecule.");
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| 329 |
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| 330 | // find associated molecule object
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| 331 | const moleculeId_t molid = _bond->leftatom->getMolecule()->getId();
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| 332 | MoleculeNodeMap::const_iterator moliter = MoleculesinSceneMap.find(molid );
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| 333 | ASSERT(moliter != MoleculesinSceneMap.end(),
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| 334 | "GLWorldScene::bondInserted() - molecule with id of "+toString(molid)
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| 335 | +" atom with id "+toString(_bond->leftatom->getId())+" is unknown.");
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| 336 | GLMoleculeObject_molecule *molObject = moliter->second;
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| 337 |
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| 338 | // add to internal list
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| 339 | const GLMoleculeObject_molecule::BondIds ids =
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| 340 | GLMoleculeObject_molecule::getBondIds(_bond, _side);
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| 341 | BondMoleculeMap::const_iterator iter = BondsinSceneMap.find(ids);
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| 342 | ASSERT(iter == BondsinSceneMap.end(),
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| 343 | "GLWorldScene::bondInserted() - bond with ids "+toString(ids.first)
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| 344 | +","+toString(ids.second)+" already present.");
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| 345 | BondsinSceneMap.insert( std::make_pair( ids, molObject ));
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| 346 |
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| 347 | // inform its GlMoleculeObject_molecule.
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| 348 | molObject->bondInserted(_bond, _side);
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| 349 |
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| 350 | // emit change
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[65487f] | 351 | emit changeOccured();
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[7188b1] | 352 | }
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[907636] | 353 |
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[37b2575] | 354 | /** Removes a bond from the scene.
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[7188b1] | 355 | *
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| 356 | * @param _bond bond to remove
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| 357 | */
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[37b2575] | 358 | void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
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[907636] | 359 | {
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[2ad1ec] | 360 | LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
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[7188b1] | 361 | {
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| 362 | // left bond
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[8c001a] | 363 | const GLMoleculeObject_molecule::BondIds Leftids( make_pair(leftnr, rightnr) );
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| 364 | BondMoleculeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
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[37b2575] | 365 | ASSERT(leftiter != BondsinSceneMap.end(),
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| 366 | "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
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| 367 | +toString(rightnr)+" not on display.");
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[8c001a] | 368 | GLMoleculeObject_molecule *molObject = leftiter->second;
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| 369 |
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| 370 | // remove from internal list
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[37b2575] | 371 | BondsinSceneMap.erase(leftiter);
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[8c001a] | 372 |
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| 373 | // inform its GlMoleculeObject_molecule.
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| 374 | molObject->bondRemoved( leftnr, rightnr );
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[7188b1] | 375 | }
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[2ad1ec] | 376 |
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[8c001a] | 377 | // emit change
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[65487f] | 378 | emit changeOccured();
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[7188b1] | 379 | }
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| 380 |
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[f75491] | 381 | /** Adds a shape to the scene.
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| 382 | *
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[4d6662] | 383 | * uses ShapeRegistry::lastChanged()
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| 384 | *
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[f75491] | 385 | */
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[4d6662] | 386 | void GLWorldScene::addShape()
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[f75491] | 387 | {
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[4d6662] | 388 | Shape &shape = *ShapeRegistry::getInstance().lastChanged();
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[f75491] | 389 | GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(shape, this);
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[284551] | 390 | ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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| 391 | ASSERT(iter == ShapesinSceneMap.end(),
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| 392 | "GLWorldScene::addShape() - same shape "+shape.getName()+" added again.");
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| 393 | ShapesinSceneMap.insert( make_pair(shape.getName(), shapeObject) );
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| 394 | }
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| 395 |
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[4d6662] | 396 | void GLWorldScene::removeShape()
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[85c36d] | 397 | {
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[4d6662] | 398 | Shape &shape = *ShapeRegistry::getInstance().lastChanged();
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[85c36d] | 399 | ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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[ba6b5c] | 400 | ASSERT(iter != ShapesinSceneMap.end(),
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[85c36d] | 401 | "GLWorldScene::removeShape() - shape "+shape.getName()+" not in scene.");
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[148dde0] | 402 | ShapesinSceneMap.erase(iter);
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[85c36d] | 403 | delete(iter->second);
|
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| 404 | }
|
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| 405 |
|
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| 406 | void GLWorldScene::updateSelectedShapes()
|
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[284551] | 407 | {
|
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| 408 | foreach (QObject *obj, children()) {
|
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| 409 | GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
|
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[85c36d] | 410 | if (shapeobj){
|
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| 411 | shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
|
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| 412 | }
|
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[284551] | 413 | }
|
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[f75491] | 414 | }
|
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| 415 |
|
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[7188b1] | 416 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
|
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| 417 | {
|
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| 418 | // Initialize all of the mesh objects that we have as children.
|
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| 419 | foreach (QObject *obj, children()) {
|
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| 420 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
|
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| 421 | if (meshobj)
|
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| 422 | meshobj->initialize(view, painter);
|
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| 423 | }
|
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| 424 | }
|
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| 425 |
|
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[72a4c1] | 426 | void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
|
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[7188b1] | 427 | {
|
---|
| 428 | // Draw all of the mesh objects that we have as children.
|
---|
| 429 | foreach (QObject *obj, children()) {
|
---|
| 430 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
|
---|
| 431 | if (meshobj)
|
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[72a4c1] | 432 | meshobj->draw(painter, cameraPlane);
|
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[7188b1] | 433 | }
|
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[907636] | 434 | }
|
---|
[06ebf5] | 435 |
|
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[6966b7] | 436 | void GLWorldScene::setSelectionMode(SelectionModeType mode)
|
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| 437 | {
|
---|
| 438 | selectionMode = mode;
|
---|
| 439 | // TODO send update to toolbar
|
---|
| 440 | }
|
---|
| 441 |
|
---|
| 442 | void GLWorldScene::setSelectionModeAtom()
|
---|
| 443 | {
|
---|
| 444 | setSelectionMode(SelectAtom);
|
---|
| 445 | }
|
---|
| 446 |
|
---|
| 447 | void GLWorldScene::setSelectionModeMolecule()
|
---|
| 448 | {
|
---|
| 449 | setSelectionMode(SelectMolecule);
|
---|
| 450 | }
|
---|
| 451 |
|
---|
[30cd0d] | 452 | void GLWorldScene::changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newId)
|
---|
| 453 | {
|
---|
| 454 | LOG(3, "INFO: GLWorldScene - change atom id " << oldId << " to " << newId << ".");
|
---|
| 455 | // Remove from map.
|
---|
[8c001a] | 456 | AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(oldId);
|
---|
[30cd0d] | 457 | ASSERT(iter != AtomsinSceneMap.end(),
|
---|
[8c001a] | 458 | "GLWorldScene::changeAtomId() - atom with old id "+toString(oldId)+" not on display.");
|
---|
| 459 | GLMoleculeObject_molecule *molObject = iter->second;
|
---|
| 460 |
|
---|
| 461 | // erase by signalling removal
|
---|
| 462 | molObject->atomRemoved(oldId);
|
---|
| 463 |
|
---|
| 464 | // remove from internal list
|
---|
[30cd0d] | 465 | AtomsinSceneMap.erase(iter);
|
---|
| 466 |
|
---|
| 467 | // Reinsert with new id.
|
---|
[8c001a] | 468 | {
|
---|
| 469 | AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(newId);
|
---|
| 470 | ASSERT(iter == AtomsinSceneMap.end(),
|
---|
| 471 | "GLWorldScene::changeAtomId() - atom with new id "+toString(newId)+" already known.");
|
---|
| 472 | }
|
---|
| 473 | AtomsinSceneMap.insert( make_pair(newId, molObject) );
|
---|
| 474 |
|
---|
| 475 | // inform molecule object
|
---|
| 476 | molObject->atomInserted(oldId);
|
---|
[30cd0d] | 477 | }
|
---|