| 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 |  * Copyright (C)  2013 Frederik Heber. All rights reserved.
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| 6 |  * 
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| 7 |  *
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| 8 |  *   This file is part of MoleCuilder.
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| 9 |  *
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| 10 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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| 11 |  *    it under the terms of the GNU General Public License as published by
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| 12 |  *    the Free Software Foundation, either version 2 of the License, or
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| 13 |  *    (at your option) any later version.
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| 14 |  *
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| 15 |  *    MoleCuilder is distributed in the hope that it will be useful,
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| 16 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 17 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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| 18 |  *    GNU General Public License for more details.
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| 19 |  *
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| 20 |  *    You should have received a copy of the GNU General Public License
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| 21 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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| 22 |  */
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| 23 | 
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| 24 | /*
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| 25 |  * cleanUp.cpp
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| 26 |  *
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| 27 |  *  Created on: Oct 28, 2011
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| 28 |  *      Author: heber
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| 29 |  */
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| 30 | 
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| 31 | // include config.h
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| 32 | #ifdef HAVE_CONFIG_H
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| 33 | #include <config.h>
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| 34 | #endif
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| 35 | 
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| 36 | #include <iostream>
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| 37 | #include <iomanip>
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| 38 | 
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| 39 | #include "CodePatterns/MemDebug.hpp"
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| 40 | 
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| 41 | #include "cleanUp.hpp"
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| 42 | 
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| 43 | #include "Atom/AtomObserver.hpp"
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| 44 | 
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| 45 | #include "CodePatterns/Chronos.hpp"
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| 46 | #include "CodePatterns/errorlogger.hpp"
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| 47 | #include "CodePatterns/logger.hpp"
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| 48 | #include "CodePatterns/Observer/ObserverLog.hpp"
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| 49 | #include "CodePatterns/Observer/GlobalObservableInfo.hpp"
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| 50 | 
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| 51 | #include "Actions/ActionQueue.hpp"
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| 52 | #include "Actions/OptionRegistry.hpp"
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| 53 | 
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| 54 | #include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp"
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| 55 | 
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| 56 | #include "Potentials/PotentialFactory.hpp"
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| 57 | #include "Potentials/PotentialRegistry.hpp"
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| 58 | 
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| 59 | #include "RandomNumbers/RandomNumberDistributionFactory.hpp"
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| 60 | #include "RandomNumbers/RandomNumberEngineFactory.hpp"
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| 61 | #include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
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| 62 | 
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| 63 | #include "Parser/ChangeTracker.hpp"
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| 64 | #include "Parser/FormatParserStorage.hpp"
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| 65 | #include "Parser/XmlParser.hpp"
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| 66 | 
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| 67 | #include "Shapes/ShapeFactory.hpp"
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| 68 | #include "Shapes/ShapeRegistry.hpp"
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| 69 | 
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| 70 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
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| 71 | #include "UIElements/Menu/MenuDescription.hpp"
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| 72 | #include "UIElements/UIFactory.hpp"
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| 73 | #include "World.hpp"
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| 74 | #include "WorldTime.hpp"
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| 75 | 
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| 76 | /** In this function all dynamicly allocated member variables to static/global
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| 77 |  * variables are added to the ignore list of Memory/MemDebug.
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| 78 |  *
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| 79 |  * Use this to prevent their listing in the Memory::getState() at the end of the
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| 80 |  * program. Check with valgrind that truely no memory leak occurs!
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| 81 |  */
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| 82 | void AddStaticEntitiestoIgnoreList()
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| 83 | {
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| 84 |   // zeroVec and unitVec are global variables (on the stack) but vectorContent
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| 85 |   // within is situated on the heap and has to be ignored
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| 86 |   Memory::ignore(zeroVec.get());
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| 87 |   Memory::ignore(unitVec[0].get());
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| 88 |   Memory::ignore(unitVec[1].get());
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| 89 |   Memory::ignore(unitVec[2].get());
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| 90 | 
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| 91 |   // XmlParser has static instance that uses vectorContent as well
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| 92 |   Memory::ignore(FormatParser< xml >::defaultAtomInfo.field.get());
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| 93 | }
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| 94 | 
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| 95 | /** purges all static (singleton) instances in correct order of dependency.
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| 96 |  *
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| 97 |  */
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| 98 | void purgeStaticInstances()
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| 99 | {
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| 100 |   // make sure that ActionQueue is already purged!
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| 101 |   FragmentationResultContainer::purgeInstance();
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| 102 |   Chronos::purgeInstance();
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| 103 |   PotentialFactory::purgeInstance();
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| 104 |   PotentialRegistry::purgeInstance();
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| 105 |   RandomNumberDistributionFactory::purgeInstance();
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| 106 |   RandomNumberEngineFactory::purgeInstance();
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| 107 |   RandomNumberGeneratorFactory::purgeInstance();
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| 108 |   ShapeFactory::purgeInstance();
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| 109 |   ShapeRegistry::purgeInstance();
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| 110 |   FormatParserStorage::purgeInstance();
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| 111 |   ChangeTracker::purgeInstance();
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| 112 |   World::purgeInstance();
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| 113 |   AtomObserver::purgeInstance();
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| 114 |   MenuDescription::purgeInstance();
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| 115 |   UIFactory::purgeInstance();
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| 116 |   CommandLineParser::purgeInstance();
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| 117 |   logger::purgeInstance();
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| 118 |   errorLogger::purgeInstance();
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| 119 |   WorldTime::purgeInstance();
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| 120 | }
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| 121 | 
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| 122 | void stopAndPurgeQueue()
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| 123 | {
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| 124 | #ifdef HAVE_ACTION_THREAD
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| 125 |   // adding a wait here such that ActionQueue's run_thread is done any may stop
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| 126 |   waitQueue();
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| 127 | #endif
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| 128 |   MoleCuilder::ActionQueue::purgeInstance();
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| 129 |   MoleCuilder::OptionRegistry::purgeInstance();
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| 130 | }
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| 131 | 
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| 132 | void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens);
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| 133 | 
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| 134 | /** Cleans all singleton instances in an orderly fashion.
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| 135 |  * C++ does not guarantee any specific sequence of removal of single instances
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| 136 |  * which have static/global variables. Some singletons depend on others hence we
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| 137 |  * ascertain a specific ordering here, which is is used via the atexit() hook.
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| 138 |  */
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| 139 | void cleanUp()
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| 140 | {
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| 141 |   // stop queue
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| 142 |   const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
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| 143 |   stopAndPurgeQueue();
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| 144 |   // give timings per Action, requires still present Chronos
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| 145 |   printTimings(tokens);
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| 146 | 
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| 147 |   // purge static instances from memory
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| 148 |   purgeStaticInstances(); 
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| 149 |   // put some static variables' dynamic contents on the Memory::ignore map to avoid their
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| 150 |   // admonishing lateron
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| 151 |   AddStaticEntitiestoIgnoreList();
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| 152 | #ifdef LOG_OBSERVER
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| 153 |   cout << observerLog().getLog();
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| 154 | #endif
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| 155 | #ifndef NDEBUG
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| 156 |   // CodePatterns always initializes observerLog except with NDEBUG
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| 157 |   ObserverLog::purgeInstance();
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| 158 |   GlobalObservableInfo::purgeInstance();
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| 159 | #endif
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| 160 |   Memory::getState();
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| 161 | }
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| 162 | 
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| 163 | /** We give a list of all times per action and a total time.
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| 164 |  *
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| 165 |  * We require a list of Action tokens such that we do not access the ActionQueue.
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| 166 |  * Timings are printed when Actions have all been performed, hence the queue should
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| 167 |  * already be purged and we cannot access it anymore.
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| 168 |  *
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| 169 |  * \param tokens
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| 170 |  */
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| 171 | void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens)
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| 172 | {
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| 173 | //  const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
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| 174 |   const Chronos &Chron = Chronos::getInstance();
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| 175 |   if (!DoLog(2)) {
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| 176 |     std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
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| 177 |     for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin();
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| 178 |         iter != tokens.end(); ++iter)
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| 179 |       if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used
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| 180 |         std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter;
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| 181 |         std::cout << setiosflags(ios::left)
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| 182 | #ifdef HAVE_SYS_TIMES_H
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| 183 |               << setprecision(3)
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| 184 | #else
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| 185 |               << setprecision(9)
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| 186 | #endif
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| 187 |               << fixed << Chron.getTime(*iter) << std::endl;
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| 188 |       }
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| 189 |   } else {
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| 190 |     std::cout << "Measured times [seconds]:" << std::endl;
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| 191 |     const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
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| 192 |     for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
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| 193 |         iter != timemap.end();
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| 194 |         ++iter) {
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| 195 |       std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
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| 196 |       std::cout << setiosflags(ios::left)
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| 197 | #ifdef HAVE_SYS_TIMES_H
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| 198 |           << setprecision(3)
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| 199 | #else
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| 200 |           << setprecision(9)
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| 201 | #endif
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| 202 |           << fixed << iter->second << std::endl;
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| 203 |     }
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| 204 |   }
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| 205 |   std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl;
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| 206 |   std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl;
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| 207 | }
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| 208 | 
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| 209 | /** Dump current memory chunks.
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| 210 |  *
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| 211 |  */
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| 212 | void dumpMemory()
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| 213 | {
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| 214 |   ofstream ost("molecuilder.memdump");
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| 215 |   Memory::dumpMemory(ost);
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| 216 | }
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| 217 | 
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| 218 | /** Save the current World to output files and exit.
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| 219 |  *
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| 220 |  * @return retrieved from World::getExitFlag()
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| 221 |  */
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| 222 | int saveAll()
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| 223 | {
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| 224 |   FormatParserStorage::getInstance().SaveAll();
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| 225 |   ChangeTracker::getInstance().saveStatus();
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| 226 | 
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| 227 |   int ExitFlag = World::getInstance().getExitFlag();
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| 228 |   return (ExitFlag == 1 ? 0 : ExitFlag);
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| 229 | }
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| 230 | 
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| 231 | #ifdef HAVE_ACTION_THREAD
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| 232 | /** Stops the queue such that all Actions are done.
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| 233 |  *
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| 234 |  */
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| 235 | void stopQueue()
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| 236 | {
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| 237 |   MoleCuilder::ActionQueue::getInstance().stop();
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| 238 | }
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| 239 | 
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| 240 | /** Waits for the queue to idle.
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| 241 |  *
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| 242 |  */
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| 243 | void waitQueue()
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| 244 | {
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| 245 |   MoleCuilder::ActionQueue::getInstance().wait();
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| 246 | }
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| 247 | #endif
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