[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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[7e3f11a] | 37 | #include "Python/PythonScripting.hpp"
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[14de8e1] | 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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[949953] | 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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[f4d063] | 53 |
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[862b6a] | 54 | #include "CodePatterns/Log.hpp"
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[949953] | 55 |
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[862b6a] | 56 | #include "Graph/BondGraph.hpp"
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[949953] | 57 |
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[862b6a] | 58 | #include "Parser/ChangeTracker.hpp"
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| 59 | #include "Parser/FormatParserStorage.hpp"
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[949953] | 60 |
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| 61 | #include "UIElements/UIFactory.hpp"
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[862b6a] | 62 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
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[949953] | 63 | #include "UIElements/CommandLineUI/CommandLineUIFactory.hpp"
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[862b6a] | 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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[949953] | 68 | #include "UIElements/MainWindow.hpp"
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[f4d063] | 69 |
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| 70 | #include "version.h"
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| 71 |
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[949953] | 72 | #include "World.hpp"
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| 73 |
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[5ca6b5] | 74 | #include <boost/filesystem.hpp>
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| 75 |
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[f4d063] | 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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[1795c9] | 85 | cout << "MoleCuilder - to create and alter molecular systems." << endl;
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[94d5ac6] | 86 | cout << "Copyright (C) 2008-2012 University Bonn. All rights reserved." << endl;
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[172b6d] | 87 | cout << "Copyright (C) 2013 Frederik Heber. All rights reserved." << endl;
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[94d5ac6] | 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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[ad7270] | 90 | cout << endl;
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[f4d063] | 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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[ad7270] | 104 | setVerbosity(1);
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[f4d063] | 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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[f71baf] | 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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[47d041] | 124 | LOG(0, "Bond length table loaded successfully.");
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[f71baf] | 125 | } else {
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[47d041] | 126 | ELOG(1, "Bond length table loading failed.");
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[f4d063] | 127 | }
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[f71baf] | 128 | input.close();
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[f4d063] | 129 | }
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[14de8e1] | 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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[f4d063] | 137 | // handle remaining arguments by CommandLineParser
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| 138 | if (argc>1) {
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[47d041] | 139 | LOG(0, "Setting UI to CommandLine.");
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[f4d063] | 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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[47d041] | 148 | LOG(0, "Setting UI to Qt4.");
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[f4d063] | 149 | UIFactory::registerFactory(new QtUIFactory::description());
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| 150 | UIFactory::makeUserInterface("Qt4");
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| 151 | #else
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[47d041] | 152 | LOG(0, "Setting UI to Text.");
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[f4d063] | 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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[0d4168] | 166 | mainWindow->display();
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[f4d063] | 167 | delete mainWindow;
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| 168 | }
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| 169 |
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