| [f4d063] | 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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| [94d5ac6] | 5 |  * 
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 | 6 |  *
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 | 7 |  *   This file is part of MoleCuilder.
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 | 8 |  *
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 | 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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 | 10 |  *    it under the terms of the GNU General Public License as published by
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 | 11 |  *    the Free Software Foundation, either version 2 of the License, or
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 | 12 |  *    (at your option) any later version.
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 | 13 |  *
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 | 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
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 | 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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 | 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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 | 17 |  *    GNU General Public License for more details.
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 | 18 |  *
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 | 19 |  *    You should have received a copy of the GNU General Public License
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 | 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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| [f4d063] | 21 |  */
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 | 22 | 
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 | 23 | /*
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 | 24 |  * builder_init.cpp
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 | 25 |  *
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 | 26 |  *  Created on: Dec 15, 2010
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 | 27 |  *      Author: heber
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 | 28 |  */
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 | 29 | 
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 | 30 | // include config.h
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 | 31 | #ifdef HAVE_CONFIG_H
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 | 32 | #include <config.h>
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 | 33 | #endif
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 | 34 | 
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| [14de8e1] | 35 | // boost::python uses placement new which is incompatible with MemDebug.
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 | 36 | #ifdef HAVE_PYTHON
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 | 37 | #include "PythonScripting.hpp"
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 | 38 | #endif
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 | 39 | 
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| [ad011c] | 40 | #include "CodePatterns/MemDebug.hpp"
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| [f4d063] | 41 | 
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| [14de8e1] | 42 | #include <boost/filesystem.hpp>
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 | 43 | #include <fstream>
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| [862b6a] | 44 | #include <iomanip>
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| [4e855e] | 45 | #include <iostream>
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| [14de8e1] | 46 | #include <iterator>
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 | 47 | #include <string>
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| [4e855e] | 48 | 
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| [f4d063] | 49 | #include "Actions/ActionHistory.hpp"
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| [949953] | 50 | #include "Actions/ActionExceptions.hpp"
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 | 51 | 
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 | 52 | #include "builder_init.hpp"
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 | 53 | #include "cleanUp.hpp"
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| [f4d063] | 54 | 
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| [862b6a] | 55 | #include "CodePatterns/Log.hpp"
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| [949953] | 56 | 
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| [862b6a] | 57 | #include "Graph/BondGraph.hpp"
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| [949953] | 58 | 
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| [862b6a] | 59 | #include "Parser/ChangeTracker.hpp"
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 | 60 | #include "Parser/FormatParserStorage.hpp"
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| [949953] | 61 | 
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 | 62 | #include "UIElements/UIFactory.hpp"
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| [862b6a] | 63 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
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| [949953] | 64 | #include "UIElements/CommandLineUI/CommandLineUIFactory.hpp"
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| [862b6a] | 65 | #ifdef USE_GUI_QT
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 | 66 | #include "UIElements/Qt4/QtUIFactory.hpp"
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 | 67 | #endif
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 | 68 | #include "UIElements/TextUI/TextUIFactory.hpp"
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| [949953] | 69 | #include "UIElements/MainWindow.hpp"
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| [f4d063] | 70 | 
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 | 71 | #include "version.h"
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 | 72 | 
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| [949953] | 73 | #include "World.hpp"
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 | 74 | 
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| [5ca6b5] | 75 | #include <boost/filesystem.hpp>
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 | 76 | 
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| [f4d063] | 77 | /** Print some initial information output the program.
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 | 78 |  *
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 | 79 |  */
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 | 80 | void ProgramHeader()
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 | 81 | {
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 | 82 |   // print version check and copyright notice
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 | 83 |   cout << MOLECUILDERVERSION << endl;
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 | 84 |   cout << "MoleCuilder comes with ABSOLUTELY NO WARRANTY; for details type" << endl;
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 | 85 |   cout << "`molecuilder --warranty'." << endl;
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| [1795c9] | 86 |   cout << "MoleCuilder - to create and alter molecular systems." << endl;
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| [94d5ac6] | 87 |   cout << "Copyright (C) 2008-2012  University Bonn. All rights reserved." << endl;
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| [172b6d] | 88 |   cout << "Copyright (C) 2013  Frederik Heber. All rights reserved." << endl;
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| [94d5ac6] | 89 |   cout << "This is free software, and you are welcome to redistribute it under" << endl;
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 | 90 |   cout << "certain conditions; type `molecuilder --help-redistribute' for details" << endl;
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| [ad7270] | 91 |   cout << endl;
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| [f4d063] | 92 | }
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 | 93 | 
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 | 94 | /** General stuff to intialize before UI.
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 | 95 |  *
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 | 96 |  */
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 | 97 | void initGeneral()
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 | 98 | {
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 | 99 |   // while we are non interactive, we want to abort from asserts
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 | 100 |   ASSERT_DO(Assert::Abort);
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 | 101 |   ASSERT_HOOK(dumpMemory);
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 | 102 | 
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 | 103 |   ProgramHeader();
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 | 104 | 
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| [ad7270] | 105 |   setVerbosity(1);
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| [f4d063] | 106 |   // need to init the history before any action is created
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| [ce7fdc] | 107 |   MoleCuilder::ActionHistory::init();
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| [f4d063] | 108 | 
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 | 109 |   // from this moment on, we need to be sure to deeinitialize in the correct order
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 | 110 |   // this is handled by the cleanup function
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 | 111 |   atexit(cleanUp);
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 | 112 | }
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 | 113 | 
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 | 114 | /** Initialize specific UIFactory.
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 | 115 |  *
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 | 116 |  * @param argc argument count
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 | 117 |  * @param argv argument array
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 | 118 |  */
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 | 119 | void initUI(int argc, char **argv)
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 | 120 | {
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 | 121 |   std::string BondGraphFileName("\n");
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 | 122 |   // Parse command line options and if present create respective UI
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 | 123 |   // construct bond graph
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| [f71baf] | 124 |   if (boost::filesystem::exists(BondGraphFileName)) {
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 | 125 |     std::ifstream input(BondGraphFileName.c_str());
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 | 126 |     if ((input.good()) && (World::getInstance().getBondGraph()->LoadBondLengthTable(input))) {
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| [47d041] | 127 |       LOG(0, "Bond length table loaded successfully.");
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| [f71baf] | 128 |     } else {
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| [47d041] | 129 |       ELOG(1, "Bond length table loading failed.");
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| [f4d063] | 130 |     }
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| [f71baf] | 131 |     input.close();
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| [f4d063] | 132 |   }
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| [14de8e1] | 133 | 
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 | 134 |   // if we have python, autoexecute a molecuilder script in current folder
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 | 135 | #ifdef HAVE_PYTHON
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 | 136 |   const std::string pythonfilename_string("./molecuilder.py");
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 | 137 |   executePythonScript(pythonfilename_string);
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 | 138 | #endif
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 | 139 | 
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| [f4d063] | 140 |   // handle remaining arguments by CommandLineParser
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 | 141 |   if (argc>1) {
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| [47d041] | 142 |     LOG(0, "Setting UI to CommandLine.");
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| [f4d063] | 143 |     CommandLineParser::getInstance().InitializeCommandArguments();
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 | 144 |     CommandLineParser::getInstance().Run(argc,argv);
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 | 145 |     UIFactory::registerFactory(new CommandLineUIFactory::description());
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 | 146 |     UIFactory::makeUserInterface("CommandLine");
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 | 147 |   } else {
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 | 148 |     // In the interactive mode, we can leave the user the choice in case of error
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 | 149 |     ASSERT_DO(Assert::Ask);
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 | 150 |     #ifdef USE_GUI_QT
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| [47d041] | 151 |       LOG(0, "Setting UI to Qt4.");
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| [f4d063] | 152 |       UIFactory::registerFactory(new QtUIFactory::description());
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 | 153 |       UIFactory::makeUserInterface("Qt4");
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 | 154 |     #else
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| [47d041] | 155 |       LOG(0, "Setting UI to Text.");
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| [f4d063] | 156 |       cout << MOLECUILDERVERSION << endl;
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 | 157 |       UIFactory::registerFactory(new TextUIFactory::description());
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 | 158 |       UIFactory::makeUserInterface("Text");
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 | 159 |     #endif
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 | 160 |   }
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 | 161 | }
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 | 162 | 
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 | 163 | /** Create MainWindow and displays.
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 | 164 |  * I.e. here all the Actions are parsed and done.
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 | 165 |  */
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 | 166 | void doUI()
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 | 167 | {
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 | 168 |   MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow();
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| [e69c87] | 169 |   try {
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 | 170 |     mainWindow->display();
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 | 171 |   } catch(ActionFailureException &e) {
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 | 172 |     std::cerr << "Action " << *boost::get_error_info<ActionNameString>(e) << " has failed." << std::endl;
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 | 173 |     World::getInstance().setExitFlag(5);
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 | 174 |   }
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| [f4d063] | 175 |   delete mainWindow;
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 | 176 | }
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 | 177 | 
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