| 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 |  * 
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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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| 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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| 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 "Python/PythonScripting.hpp"
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| 38 | #endif
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| 39 | 
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| 40 | #include "CodePatterns/MemDebug.hpp"
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| 41 | 
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| 42 | #include <boost/filesystem.hpp>
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| 43 | #include <fstream>
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| 44 | #include <iomanip>
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| 45 | #include <iostream>
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| 46 | #include <iterator>
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| 47 | #include <string>
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| 48 | 
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| 49 | #include "Actions/ActionExceptions.hpp"
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| 50 | 
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| 51 | #include "builder_init.hpp"
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| 52 | #include "cleanUp.hpp"
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| 53 | 
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| 54 | #include "CodePatterns/Log.hpp"
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| 55 | 
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| 56 | #include "Graph/BondGraph.hpp"
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| 57 | 
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| 58 | #include "Parser/ChangeTracker.hpp"
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| 59 | #include "Parser/FormatParserStorage.hpp"
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| 60 | 
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| 61 | #include "UIElements/UIFactory.hpp"
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| 62 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
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| 63 | #include "UIElements/CommandLineUI/CommandLineUIFactory.hpp"
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| 64 | #ifdef USE_GUI_QT
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| 65 | #include "UIElements/Qt4/QtUIFactory.hpp"
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| 66 | #endif
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| 67 | #include "UIElements/TextUI/TextUIFactory.hpp"
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| 68 | #include "UIElements/MainWindow.hpp"
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| 69 | 
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| 70 | #include "version.h"
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| 71 | 
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| 72 | #include "World.hpp"
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| 73 | 
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| 74 | #include <boost/filesystem.hpp>
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| 75 | 
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| 76 | /** Print some initial information output the program.
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| 77 |  *
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| 78 |  */
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| 79 | void ProgramHeader()
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| 80 | {
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| 81 |   // print version check and copyright notice
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| 82 |   cout << MOLECUILDERVERSION << endl;
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| 83 |   cout << "MoleCuilder comes with ABSOLUTELY NO WARRANTY; for details type" << endl;
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| 84 |   cout << "`molecuilder --warranty'." << endl;
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| 85 |   cout << "MoleCuilder - to create and alter molecular systems." << endl;
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| 86 |   cout << "Copyright (C) 2008-2012  University Bonn. All rights reserved." << endl;
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| 87 |   cout << "Copyright (C) 2013  Frederik Heber. All rights reserved." << endl;
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| 88 |   cout << "This is free software, and you are welcome to redistribute it under" << endl;
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| 89 |   cout << "certain conditions; type `molecuilder --help-redistribute' for details" << endl;
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| 90 |   cout << endl;
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| 91 | }
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| 92 | 
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| 93 | /** General stuff to intialize before UI.
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| 94 |  *
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| 95 |  */
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| 96 | void initGeneral()
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| 97 | {
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| 98 |   // while we are non interactive, we want to abort from asserts
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| 99 |   ASSERT_DO(Assert::Abort);
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| 100 |   ASSERT_HOOK(dumpMemory);
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| 101 | 
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| 102 |   ProgramHeader();
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| 103 | 
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| 104 |   setVerbosity(1);
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| 105 | 
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| 106 |   // from this moment on, we need to be sure to deeinitialize in the correct order
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| 107 |   // this is handled by the cleanup function
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| 108 |   atexit(cleanUp);
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| 109 | }
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| 110 | 
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| 111 | /** Initialize specific UIFactory.
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| 112 |  *
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| 113 |  * @param argc argument count
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| 114 |  * @param argv argument array
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| 115 |  */
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| 116 | void initUI(int argc, char **argv)
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| 117 | {
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| 118 |   std::string BondGraphFileName("\n");
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| 119 |   // Parse command line options and if present create respective UI
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| 120 |   // construct bond graph
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| 121 |   if (boost::filesystem::exists(BondGraphFileName)) {
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| 122 |     std::ifstream input(BondGraphFileName.c_str());
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| 123 |     if ((input.good()) && (World::getInstance().getBondGraph()->LoadBondLengthTable(input))) {
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| 124 |       LOG(0, "Bond length table loaded successfully.");
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| 125 |     } else {
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| 126 |       ELOG(1, "Bond length table loading failed.");
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| 127 |     }
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| 128 |     input.close();
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| 129 |   }
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| 130 | 
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| 131 |   // if we have python, autoexecute a molecuilder script in current folder
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| 132 | #ifdef HAVE_PYTHON
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| 133 |   const std::string pythonfilename_string("./molecuilder.py");
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| 134 |   executePythonScript(pythonfilename_string);
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| 135 | #endif
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| 136 | 
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| 137 |   // handle remaining arguments by CommandLineParser
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| 138 |   if (argc>1) {
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| 139 |     LOG(0, "Setting UI to CommandLine.");
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| 140 |     CommandLineParser::getInstance().InitializeCommandArguments();
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| 141 |     CommandLineParser::getInstance().Run(argc,argv);
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| 142 |     UIFactory::registerFactory(new CommandLineUIFactory::description());
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| 143 |     UIFactory::makeUserInterface("CommandLine");
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| 144 |   } else {
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| 145 |     // In the interactive mode, we can leave the user the choice in case of error
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| 146 |     ASSERT_DO(Assert::Ask);
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| 147 |     #ifdef USE_GUI_QT
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| 148 |       LOG(0, "Setting UI to Qt4.");
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| 149 |       UIFactory::registerFactory(new QtUIFactory::description());
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| 150 |       UIFactory::makeUserInterface("Qt4");
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| 151 |     #else
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| 152 |       LOG(0, "Setting UI to Text.");
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| 153 |       cout << MOLECUILDERVERSION << endl;
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| 154 |       UIFactory::registerFactory(new TextUIFactory::description());
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| 155 |       UIFactory::makeUserInterface("Text");
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| 156 |     #endif
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| 157 |   }
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| 158 | }
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| 159 | 
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| 160 | /** Create MainWindow and displays.
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| 161 |  * I.e. here all the Actions are parsed and done.
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| 162 |  */
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| 163 | void doUI()
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| 164 | {
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| 165 |   MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow();
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| 166 |   mainWindow->display();
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| 167 |   delete mainWindow;
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| 168 | }
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| 169 | 
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