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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