| [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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