[949953] | 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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[5aaa43] | 5 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
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[94d5ac6] | 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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[949953] | 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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[c9c3c9] | 43 | #include "Atom/AtomObserver.hpp"
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| 44 |
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[949953] | 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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[856d05] | 48 | #include "CodePatterns/Observer/ObserverLog.hpp"
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[574d377] | 49 | #include "CodePatterns/Observer/GlobalObservableInfo.hpp"
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[949953] | 50 |
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[628577] | 51 | #include "Actions/ActionQueue.hpp"
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[949953] | 52 | #include "Actions/OptionRegistry.hpp"
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| 53 |
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[7f8c9a] | 54 | #include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp"
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| 55 |
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[5d8f4f] | 56 | #include "MoleculeObserver.hpp"
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| 57 |
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[96c7d2] | 58 | #include "Potentials/PotentialFactory.hpp"
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| 59 | #include "Potentials/PotentialRegistry.hpp"
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| 60 |
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[949953] | 61 | #include "RandomNumbers/RandomNumberDistributionFactory.hpp"
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| 62 | #include "RandomNumbers/RandomNumberEngineFactory.hpp"
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| 63 | #include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
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| 64 |
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| 65 | #include "Parser/ChangeTracker.hpp"
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| 66 | #include "Parser/FormatParserStorage.hpp"
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[856d05] | 67 | #include "Parser/XmlParser.hpp"
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[949953] | 68 |
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[ff9e5a] | 69 | #include "Shapes/ShapeFactory.hpp"
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| 70 | #include "Shapes/ShapeRegistry.hpp"
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| 71 |
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[949953] | 72 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
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| 73 | #include "UIElements/Menu/MenuDescription.hpp"
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| 74 | #include "UIElements/UIFactory.hpp"
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| 75 | #include "World.hpp"
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[856d05] | 76 | #include "WorldTime.hpp"
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[949953] | 77 |
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| 78 | /** In this function all dynamicly allocated member variables to static/global
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| 79 | * variables are added to the ignore list of Memory/MemDebug.
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| 80 | *
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| 81 | * Use this to prevent their listing in the Memory::getState() at the end of the
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| 82 | * program. Check with valgrind that truely no memory leak occurs!
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| 83 | */
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| 84 | void AddStaticEntitiestoIgnoreList()
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| 85 | {
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| 86 | // zeroVec and unitVec are global variables (on the stack) but vectorContent
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| 87 | // within is situated on the heap and has to be ignored
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| 88 | Memory::ignore(zeroVec.get());
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| 89 | Memory::ignore(unitVec[0].get());
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| 90 | Memory::ignore(unitVec[1].get());
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| 91 | Memory::ignore(unitVec[2].get());
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[856d05] | 92 |
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| 93 | // XmlParser has static instance that uses vectorContent as well
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| 94 | Memory::ignore(FormatParser< xml >::defaultAtomInfo.field.get());
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[949953] | 95 | }
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| 96 |
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[567357] | 97 | /** purges all static (singleton) instances in correct order of dependency.
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| 98 | *
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[949953] | 99 | */
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[567357] | 100 | void purgeStaticInstances()
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[949953] | 101 | {
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[415ddd] | 102 | // make sure that ActionQueue is already purged!
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[7f8c9a] | 103 | FragmentationResultContainer::purgeInstance();
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[949953] | 104 | Chronos::purgeInstance();
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[96c7d2] | 105 | PotentialFactory::purgeInstance();
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| 106 | PotentialRegistry::purgeInstance();
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[949953] | 107 | RandomNumberDistributionFactory::purgeInstance();
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| 108 | RandomNumberEngineFactory::purgeInstance();
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| 109 | RandomNumberGeneratorFactory::purgeInstance();
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[ff9e5a] | 110 | ShapeFactory::purgeInstance();
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| 111 | ShapeRegistry::purgeInstance();
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[949953] | 112 | FormatParserStorage::purgeInstance();
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| 113 | ChangeTracker::purgeInstance();
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| 114 | World::purgeInstance();
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[c9c3c9] | 115 | AtomObserver::purgeInstance();
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[5d8f4f] | 116 | MoleculeObserver::purgeInstance();
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[949953] | 117 | MenuDescription::purgeInstance();
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| 118 | UIFactory::purgeInstance();
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| 119 | CommandLineParser::purgeInstance();
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[567357] | 120 | logger::purgeInstance();
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| 121 | errorLogger::purgeInstance();
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[856d05] | 122 | WorldTime::purgeInstance();
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[567357] | 123 | }
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| 124 |
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[415ddd] | 125 | void stopAndPurgeQueue()
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| 126 | {
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[74459a] | 127 | #ifdef HAVE_ACTION_THREAD
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[415ddd] | 128 | // adding a wait here such that ActionQueue's run_thread is done any may stop
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| 129 | waitQueue();
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[74459a] | 130 | #endif
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[415ddd] | 131 | MoleCuilder::ActionQueue::purgeInstance();
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| 132 | MoleCuilder::OptionRegistry::purgeInstance();
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| 133 | }
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| 134 |
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| 135 | void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens);
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| 136 |
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[567357] | 137 | /** Cleans all singleton instances in an orderly fashion.
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| 138 | * C++ does not guarantee any specific sequence of removal of single instances
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| 139 | * which have static/global variables. Some singletons depend on others hence we
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[415ddd] | 140 | * ascertain a specific ordering here, which is is used via the atexit() hook.
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[567357] | 141 | */
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| 142 | void cleanUp()
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| 143 | {
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[415ddd] | 144 | // stop queue
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| 145 | const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
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| 146 | stopAndPurgeQueue();
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| 147 | // give timings per Action, requires still present Chronos
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| 148 | printTimings(tokens);
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| 149 |
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[567357] | 150 | // purge static instances from memory
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| 151 | purgeStaticInstances();
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[949953] | 152 | // put some static variables' dynamic contents on the Memory::ignore map to avoid their
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| 153 | // admonishing lateron
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| 154 | AddStaticEntitiestoIgnoreList();
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| 155 | #ifdef LOG_OBSERVER
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| 156 | cout << observerLog().getLog();
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[856d05] | 157 | #endif
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| 158 | #ifndef NDEBUG
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[708277] | 159 | // CodePatterns always initializes observerLog except with NDEBUG
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[856d05] | 160 | ObserverLog::purgeInstance();
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[574d377] | 161 | GlobalObservableInfo::purgeInstance();
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[949953] | 162 | #endif
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| 163 | Memory::getState();
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| 164 | }
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| 165 |
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| 166 | /** We give a list of all times per action and a total time.
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| 167 | *
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[415ddd] | 168 | * We require a list of Action tokens such that we do not access the ActionQueue.
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| 169 | * Timings are printed when Actions have all been performed, hence the queue should
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| 170 | * already be purged and we cannot access it anymore.
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| 171 | *
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| 172 | * \param tokens
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[949953] | 173 | */
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[415ddd] | 174 | void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens)
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[949953] | 175 | {
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[415ddd] | 176 | // const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
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[949953] | 177 | const Chronos &Chron = Chronos::getInstance();
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[3b0d2a] | 178 | if (!DoLog(2)) {
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| 179 | std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
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[690741] | 180 | for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin();
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| 181 | iter != tokens.end(); ++iter)
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| 182 | if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used
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| 183 | std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter;
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[3b0d2a] | 184 | std::cout << setiosflags(ios::left)
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| 185 | #ifdef HAVE_SYS_TIMES_H
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| 186 | << setprecision(3)
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| 187 | #else
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| 188 | << setprecision(9)
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| 189 | #endif
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[690741] | 190 | << fixed << Chron.getTime(*iter) << std::endl;
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[3b0d2a] | 191 | }
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| 192 | } else {
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| 193 | std::cout << "Measured times [seconds]:" << std::endl;
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| 194 | const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
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| 195 | for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
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| 196 | iter != timemap.end();
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| 197 | ++iter) {
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[949953] | 198 | std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
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[ddeed2] | 199 | std::cout << setiosflags(ios::left)
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| 200 | #ifdef HAVE_SYS_TIMES_H
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| 201 | << setprecision(3)
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| 202 | #else
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| 203 | << setprecision(9)
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| 204 | #endif
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[3b0d2a] | 205 | << fixed << iter->second << std::endl;
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[949953] | 206 | }
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[3b0d2a] | 207 | }
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[949953] | 208 | std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl;
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| 209 | std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl;
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| 210 | }
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[b5d38d] | 211 |
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| 212 | /** Dump current memory chunks.
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| 213 | *
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| 214 | */
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| 215 | void dumpMemory()
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| 216 | {
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| 217 | ofstream ost("molecuilder.memdump");
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| 218 | Memory::dumpMemory(ost);
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| 219 | }
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| 220 |
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| 221 | /** Save the current World to output files and exit.
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| 222 | *
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| 223 | * @return retrieved from World::getExitFlag()
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| 224 | */
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| 225 | int saveAll()
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| 226 | {
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| 227 | FormatParserStorage::getInstance().SaveAll();
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| 228 | ChangeTracker::getInstance().saveStatus();
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| 229 |
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| 230 | int ExitFlag = World::getInstance().getExitFlag();
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| 231 | return (ExitFlag == 1 ? 0 : ExitFlag);
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| 232 | }
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[415ddd] | 233 |
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[74459a] | 234 | #ifdef HAVE_ACTION_THREAD
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[415ddd] | 235 | /** Stops the queue such that all Actions are done.
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| 236 | *
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| 237 | */
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| 238 | void stopQueue()
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| 239 | {
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| 240 | MoleCuilder::ActionQueue::getInstance().stop();
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| 241 | }
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| 242 |
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| 243 | /** Waits for the queue to idle.
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| 244 | *
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| 245 | */
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| 246 | void waitQueue()
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| 247 | {
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| 248 | MoleCuilder::ActionQueue::getInstance().wait();
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| 249 | }
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[74459a] | 250 | #endif
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