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