| 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) 2010-2012 University of Bonn. All rights reserved.
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| 5 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
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| 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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| 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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| 39 | #include <Qt3D/qglview.h>
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| 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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| 44 |
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| 45 | #include "GLMoleculeObject.hpp"
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| 46 | #include "GLMoleculeObject_atom.hpp"
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| 47 | #include "GLMoleculeObject_bond.hpp"
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| 48 | #include "GLMoleculeObject_molecule.hpp"
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| 49 | #include "GLMoleculeObject_shape.hpp"
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| 50 |
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| 51 | #include "CodePatterns/MemDebug.hpp"
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| 52 |
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| 53 | #include "CodePatterns/Log.hpp"
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| 54 |
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| 55 | #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
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| 56 | #include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
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| 57 | #include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
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| 58 | #include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
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| 59 | #include "Atom/atom.hpp"
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| 60 | #include "Bond/bond.hpp"
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| 61 | #include "Descriptors/AtomIdDescriptor.hpp"
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| 62 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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| 63 | #include "Helpers/helpers.hpp"
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| 64 | #include "Shapes/ShapeRegistry.hpp"
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| 65 | #include "molecule.hpp"
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| 66 | #include "World.hpp"
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| 67 |
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| 68 | #include <iostream>
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| 69 |
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| 70 | using namespace MoleCuilder;
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| 71 |
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| 72 | GLWorldScene::GLWorldScene(QObject *parent) :
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| 73 | QObject(parent),
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| 74 | selectionMode(SelectAtom)
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| 75 | {
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| 76 | int sphereDetails[] = {5, 3, 2, 0};
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| 77 | int cylinderDetails[] = {16, 8, 6, 3};
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| 78 | for (int i=0;i<GLMoleculeObject::DETAILTYPES_MAX;i++){
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| 79 | QGLBuilder emptyBuilder;
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| 80 | GLMoleculeObject::meshEmpty[i] = emptyBuilder.finalizedSceneNode();
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| 81 | QGLBuilder sphereBuilder;
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| 82 | sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
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| 83 | GLMoleculeObject::meshSphere[i] = sphereBuilder.finalizedSceneNode();
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| 84 | GLMoleculeObject::meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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| 85 | QGLBuilder cylinderBuilder;
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| 86 | cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
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| 87 | GLMoleculeObject::meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
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| 88 | GLMoleculeObject::meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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| 89 | }
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| 90 |
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| 91 | // connect(this, SIGNAL(updated()), this, SLOT(update()));
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| 92 | }
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| 93 |
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| 94 | GLWorldScene::~GLWorldScene()
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| 95 | {
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| 96 | // remove all elements
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| 97 | GLMoleculeObject::cleanMaterialMap();
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| 98 | }
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| 99 |
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| 100 | ///** Update the WorldScene with molecules and atomsfrom World.
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| 101 | // *
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| 102 | // * This function should be called after e.g. WorldTime::TimeChanged was
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| 103 | // * received or after another molecule has been loaded.
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| 104 | // *
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| 105 | // */
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| 106 | //void GLWorldScene::update()
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| 107 | //{
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| 108 | // const std::vector<const molecule *> &molecules =
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| 109 | // const_cast<const World &>(World::getInstance()).getAllMolecules();
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| 110 | //
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| 111 | // for (std::vector<const 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 | // // check whether molecule already exists
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| 115 | // const moleculeId_t molid = (*moliter)->getId();
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| 116 | // const bool mol_present = MoleculesinSceneMap.count(molid);
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| 117 | // if (!mol_present)
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| 118 | // moleculeInserted((*moliter)->getId());
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| 119 | // }
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| 120 | //
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| 121 | // MoleculeNodeMap::iterator iter = MoleculesinSceneMap.begin();
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| 122 | // for (;iter != MoleculesinSceneMap.end();) {
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| 123 | // const moleculeId_t molid = iter->first;
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| 124 | // const molecule * const mol = const_cast<const World &>(World::getInstance()).
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| 125 | // getMolecule(MoleculeById(molid));
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| 126 | // const bool mol_absent = (mol == NULL);
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| 127 | // // step on to next molecule before possibly removing entry and invalidating iter
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| 128 | // ++iter;
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| 129 | // if (mol_absent)
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| 130 | // moleculeRemoved(molid);
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| 131 | // }
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| 132 | //
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| 133 | //}
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| 134 |
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| 135 | void GLWorldScene::atomClicked(atomId_t no)
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| 136 | {
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| 137 | LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
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| 138 | const atom * const Walker = const_cast<const World &>(World::getInstance()).
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| 139 | getAtom(AtomById(no));
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| 140 | if (selectionMode == SelectAtom){
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| 141 | if (!World::getInstance().isSelected(Walker))
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| 142 | SelectionAtomById(std::vector<atomId_t>(1,no));
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| 143 | else
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| 144 | SelectionNotAtomById(std::vector<atomId_t>(1,no));
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| 145 | }else if (selectionMode == SelectMolecule){
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| 146 | const molecule *mol = Walker->getMolecule();
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| 147 | ASSERT(mol, "Atom without molecule has been clicked.");
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| 148 | molids_t ids(1, mol->getId());
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| 149 | if (!World::getInstance().isSelected(mol))
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| 150 | SelectionMoleculeById(ids);
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| 151 | else
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| 152 | SelectionNotMoleculeById(ids);
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| 153 | }
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| 154 | emit clicked(no);
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| 155 | }
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| 156 |
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| 157 | void GLWorldScene::moleculeClicked(moleculeId_t no)
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| 158 | {
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| 159 | LOG(3, "INFO: GLMoleculeObject_molecule - mol " << no << " has been clicked.");
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| 160 | const molecule * const mol= const_cast<const World &>(World::getInstance()).
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| 161 | getMolecule(MoleculeById(no));
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| 162 | ASSERT(mol, "Atom without molecule has been clicked.");
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| 163 | molids_t ids(1, mol->getId());
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| 164 | if (!World::getInstance().isSelected(mol))
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| 165 | SelectionMoleculeById(ids);
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| 166 | else
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| 167 | SelectionNotMoleculeById(ids);
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| 168 | emit clicked(no);
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| 169 | }
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| 170 |
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| 171 | /** Inserts an atom into the scene before molecule is present.
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| 172 | *
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| 173 | * @param _molid molecule to insert atom for
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| 174 | * @param _atomid atom to insert
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| 175 | */
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| 176 | void GLWorldScene::atomInserted(const moleculeId_t _molid, const atomId_t _atomid)
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| 177 | {
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| 178 | LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atomid)+".");
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| 179 |
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| 180 | boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
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| 181 |
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| 182 | // check of molecule is already present
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| 183 | if (MoleculesinSceneMap.count(_molid) != 0) {
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| 184 | // pass signal through
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| 185 | } else {
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| 186 | // store signal for when it is instantiated
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| 187 | if (MoleculeMissedStateMap.count(_molid) == 0)
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| 188 | MoleculeMissedStateMap.insert( std::make_pair(_molid ,StateChangeMap_t()) );
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| 189 | MoleculeMissedStateMap[_molid].insert( std::make_pair(_atomid, atomInsertedState) );
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| 190 | }
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| 191 | }
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| 192 |
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| 193 | /** Removes an atom into the scene before molecule is present.
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| 194 | *
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| 195 | * @param _molid molecule to insert atom for
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| 196 | * @param _atomid atom to insert
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| 197 | */
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| 198 | void GLWorldScene::atomRemoved(const moleculeId_t _molid, const atomId_t _atomid)
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| 199 | {
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| 200 | LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atomid)+".");
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| 201 |
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| 202 | boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
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| 203 |
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| 204 | // check of molecule is already present
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| 205 | if (MoleculesinSceneMap.count(_molid) != 0) {
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| 206 | // pass signal through
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| 207 | } else {
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| 208 | // store signal for when it is instantiated
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| 209 | if (MoleculeMissedStateMap.count(_molid) == 0)
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| 210 | MoleculeMissedStateMap.insert( std::make_pair(_molid ,StateChangeMap_t()) );
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| 211 | MoleculeMissedStateMap[_molid].insert( std::make_pair(_atomid, atomRemovedState) );
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| 212 | }
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| 213 | }
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| 214 |
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| 215 | /** Inserts a molecule into the scene.
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| 216 | *
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| 217 | * @param _mol molecule to insert
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| 218 | */
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| 219 | void GLWorldScene::moleculeInserted(const moleculeId_t _id)
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| 220 | {
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| 221 | LOG(3, "INFO: GLWorldScene: Received signal moleculeInserted for molecule "+toString(_id)+".");
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| 222 | MoleculeNodeMap::const_iterator iter = MoleculesinSceneMap.find(_id);
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| 223 | ASSERT( iter == MoleculesinSceneMap.end(),
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| 224 | "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" already present.");
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| 225 |
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| 226 | // check whether molecule is still present
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| 227 | if (RemovalMolecules.count(_id) != 0) {
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| 228 | RemovalMolecules.erase(_id);
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| 229 | return;
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| 230 | }
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| 231 | if (const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(_id)) == NULL)
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| 232 | return;
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| 233 |
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| 234 | // add new object
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| 235 | GLMoleculeObject_molecule *molObject =
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| 236 | new GLMoleculeObject_molecule(GLMoleculeObject::meshEmpty, this, _id);
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| 237 | ASSERT( molObject != NULL,
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| 238 | "GLWorldScene::moleculeInserted - could not create molecule object for "+toString(_id));
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| 239 | MoleculesinSceneMap.insert( make_pair(_id, molObject) );
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| 240 |
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| 241 | // now handle all state changes that came up before the instantiation
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| 242 | while (MoleculeMissedStateMap.count(_id) != 0) {
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| 243 | ASSERT( !MoleculeMissedStateMap[_id].empty(),
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| 244 | "GLWorldScene::moleculeInserted() - we have an empty state change map for molecule with id "
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| 245 | +toString(_id));
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| 246 | boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
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| 247 | for (StateChangeMap_t::iterator iter = MoleculeMissedStateMap[_id].begin();
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| 248 | !MoleculeMissedStateMap[_id].empty();
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| 249 | iter = MoleculeMissedStateMap[_id].begin()) {
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| 250 | std::pair<StateChangeMap_t::iterator, StateChangeMap_t::iterator> rangeiter =
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| 251 | MoleculeMissedStateMap[_id].equal_range(iter->first);
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| 252 | const size_t StateCounts = std::distance(rangeiter.first, rangeiter.second);
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| 253 | if (StateCounts > 1) {
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| 254 | // more than one state change, have to combine
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| 255 | typedef std::map<StateChangeType, size_t> StateChangeAmounts_t;
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| 256 | StateChangeAmounts_t StateChangeAmounts;
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| 257 | for (StateChangeMap_t::const_iterator stateiter = rangeiter.first;
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| 258 | stateiter != rangeiter.second; ++stateiter)
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| 259 | ++StateChangeAmounts[stateiter->second];
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| 260 | ASSERT( StateChangeAmounts[atomInsertedState] >= StateChangeAmounts[atomRemovedState],
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| 261 | "GLWorldScene::moleculeInserted() - more atomRemoved states than atomInserted for atom "
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| 262 | +toString(iter->first));
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| 263 | if (StateChangeAmounts[atomInsertedState] > StateChangeAmounts[atomRemovedState]) {
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| 264 | LOG(1, "INFO: invoking atomInserted for atom " << iter->first);
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| 265 | QMetaObject::invokeMethod(molObject, // pointer to a QObject
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| 266 | "atomInserted", // member name (no parameters here)
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| 267 | Qt::DirectConnection, // connection type
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| 268 | Q_ARG(const atomId_t, iter->first)); // parameters
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| 269 | } else {
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| 270 | LOG(1, "INFO: Atom " << iter->first << " has been inserted and removed already.");
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| 271 | }
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| 272 | } else {
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| 273 | // can only be an insertion
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| 274 | switch (rangeiter.first->second) {
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| 275 | case atomRemovedState:
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| 276 | ASSERT( 0,
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| 277 | "GLWorldScene::moleculeInserted() - atomRemoved state without atomInserted for atom "
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| 278 | +toString(iter->first));
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| 279 | break;
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| 280 | case atomInsertedState:
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| 281 | LOG(1, "INFO: invoking atomInserted for atom " << iter->first);
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| 282 | QMetaObject::invokeMethod(molObject, // pointer to a QObject
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| 283 | "atomInserted", // member name (no parameters here)
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| 284 | Qt::DirectConnection, // connection type
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| 285 | Q_ARG(const atomId_t, iter->first)); // parameters
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| 286 | break;
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| 287 | default:
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| 288 | ASSERT( 0,
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| 289 | "GLWorldScene::moleculeInserted() - there are unknown change states.");
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| 290 | break;
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| 291 | }
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| 292 | }
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| 293 | // removed state changes for this atom
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| 294 | MoleculeMissedStateMap[_id].erase(iter);
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| 295 | }
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| 296 | // remove state change map for the molecule
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| 297 | MoleculeMissedStateMap.erase(_id);
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| 298 | }
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| 299 |
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| 300 | // now let the molObject sign on to molecule
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| 301 | molObject->activateObserver();
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| 302 |
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| 303 | connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
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| 304 | connect (molObject, SIGNAL(changeOccured()), this, SIGNAL(changeOccured()));
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| 305 | connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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| 306 | connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
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| 307 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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| 308 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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| 309 | connect (molObject, SIGNAL(hoverChanged(const atomId_t)), this, SIGNAL(hoverChanged(const atomId_t)));
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| 310 | connect (molObject, SIGNAL(hoverChanged(const moleculeId_t, int)), this, SIGNAL(hoverChanged(const moleculeId_t, int)));
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| 311 | connect (molObject, SIGNAL(indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t)), this, SLOT(changeMoleculeId(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t)));
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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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| 317 | /** Removes a molecule from the scene.
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| 318 | *
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| 319 | * @param _id id of molecule to remove
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| 320 | */
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| 321 | void GLWorldScene::moleculeRemoved(const moleculeId_t _id)
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| 322 | {
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| 323 | LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
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| 324 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
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| 325 | if ( iter == MoleculesinSceneMap.end())
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| 326 | RemovalMolecules.insert(_id);
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| 327 | else {
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| 328 |
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| 329 | GLMoleculeObject_molecule *molObject = iter->second;
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| 330 | molObject->disconnect();
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| 331 | MoleculesinSceneMap.erase(iter);
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| 332 | delete molObject;
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| 333 |
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| 334 | // remove any possible state changes left
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| 335 | {
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| 336 | boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
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| 337 | MoleculeMissedStateMap.erase(_id);
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| 338 | }
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| 339 |
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| 340 | emit changed();
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| 341 | emit changeOccured();
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| 342 | }
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| 343 | }
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| 344 |
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| 345 | void GLWorldScene::moleculesVisibilityChanged(const moleculeId_t _id, bool _visible)
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| 346 | {
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| 347 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
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| 348 | ASSERT( iter != MoleculesinSceneMap.end(),
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| 349 | "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
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| 350 |
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| 351 | GLMoleculeObject_molecule *molObject = iter->second;
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| 352 | molObject->setVisible(_visible);
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| 353 |
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| 354 | emit changed();
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| 355 | emit changeOccured();
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| 356 | }
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| 357 |
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| 358 | /** Adds a shape to the scene.
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| 359 | *
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| 360 | * uses ShapeRegistry::lastChanged()
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| 361 | *
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| 362 | */
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| 363 | void GLWorldScene::addShape()
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| 364 | {
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| 365 | Shape &shape = *ShapeRegistry::getInstance().lastChanged();
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| 366 | GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(shape, this);
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| 367 | ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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| 368 | ASSERT(iter == ShapesinSceneMap.end(),
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| 369 | "GLWorldScene::addShape() - same shape "+shape.getName()+" added again.");
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| 370 | ShapesinSceneMap.insert( make_pair(shape.getName(), shapeObject) );
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| 371 | }
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| 372 |
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| 373 | void GLWorldScene::removeShape()
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| 374 | {
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| 375 | Shape &shape = *ShapeRegistry::getInstance().lastChanged();
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| 376 | ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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| 377 | ASSERT(iter != ShapesinSceneMap.end(),
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| 378 | "GLWorldScene::removeShape() - shape "+shape.getName()+" not in scene.");
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| 379 | ShapesinSceneMap.erase(iter);
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| 380 | delete(iter->second);
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| 381 | }
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| 382 |
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| 383 | void GLWorldScene::updateSelectedShapes()
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| 384 | {
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| 385 | foreach (QObject *obj, children()) {
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| 386 | GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
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| 387 | if (shapeobj){
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| 388 | shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
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| 389 | }
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| 390 | }
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| 391 | }
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| 392 |
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| 393 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
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| 394 | {
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| 395 | // Initialize all of the mesh objects that we have as children.
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| 396 | foreach (QObject *obj, children()) {
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| 397 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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| 398 | if (meshobj)
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| 399 | meshobj->initialize(view, painter);
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| 400 | }
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| 401 | }
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| 402 |
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| 403 | void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
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| 404 | {
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| 405 | // Draw all of the mesh objects that we have as children.
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| 406 | foreach (QObject *obj, children()) {
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| 407 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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| 408 | if (meshobj)
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| 409 | meshobj->draw(painter, cameraPlane);
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| 410 | }
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| 411 | }
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| 412 |
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| 413 | void GLWorldScene::setSelectionMode(SelectionModeType mode)
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| 414 | {
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| 415 | selectionMode = mode;
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| 416 | // TODO send update to toolbar
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| 417 | }
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| 418 |
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| 419 | void GLWorldScene::setSelectionModeAtom()
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|---|
| 420 | {
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|---|
| 421 | setSelectionMode(SelectAtom);
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| 422 | }
|
|---|
| 423 |
|
|---|
| 424 | void GLWorldScene::setSelectionModeMolecule()
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|---|
| 425 | {
|
|---|
| 426 | setSelectionMode(SelectMolecule);
|
|---|
| 427 | }
|
|---|
| 428 |
|
|---|
| 429 | void GLWorldScene::changeMoleculeId(
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|---|
| 430 | GLMoleculeObject_molecule *ob,
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|---|
| 431 | const moleculeId_t oldId,
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|---|
| 432 | const moleculeId_t newId)
|
|---|
| 433 | {
|
|---|
| 434 | LOG(3, "INFO: GLWorldScene - change molecule id " << oldId << " to " << newId << ".");
|
|---|
| 435 |
|
|---|
| 436 | {
|
|---|
| 437 | // Remove from map.
|
|---|
| 438 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(oldId);
|
|---|
| 439 | ASSERT(iter != MoleculesinSceneMap.end(),
|
|---|
| 440 | "GLWorldScene::changeMoleculeId() - molecule with old id "+toString(oldId)+" not on display.");
|
|---|
| 441 | ASSERT(iter->second == ob,
|
|---|
| 442 | "GLWorldScene::changeMoleculeId() - molecule with id "
|
|---|
| 443 | +toString(oldId)+" does not match with object in MoleculesinSceneMap.");
|
|---|
| 444 | MoleculesinSceneMap.erase(iter);
|
|---|
| 445 |
|
|---|
| 446 | // Reinsert with new id.
|
|---|
| 447 | {
|
|---|
| 448 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(newId);
|
|---|
| 449 | ASSERT(iter == MoleculesinSceneMap.end(),
|
|---|
| 450 | "GLWorldScene::changeMoleculeId() - moleculewith new id "+toString(newId)+" already known.");
|
|---|
| 451 | }
|
|---|
| 452 | MoleculesinSceneMap.insert( make_pair(newId, ob) );
|
|---|
| 453 | }
|
|---|
| 454 |
|
|---|
| 455 | {
|
|---|
| 456 | // Remove and re-insert from map if present.
|
|---|
| 457 | MoleculeMissedStateMap_t::iterator iter = MoleculeMissedStateMap.find(oldId);
|
|---|
| 458 | if (iter != MoleculeMissedStateMap.end()) {
|
|---|
| 459 | StateChangeMap_t changemap = iter->second;
|
|---|
| 460 | MoleculeMissedStateMap.erase(iter);
|
|---|
| 461 | MoleculeMissedStateMap.insert( std::make_pair(newId, changemap) );
|
|---|
| 462 | }
|
|---|
| 463 | }
|
|---|
| 464 | }
|
|---|