[949953] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
|
---|
[5aaa43] | 5 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
|
---|
[94d5ac6] | 6 | *
|
---|
| 7 | *
|
---|
| 8 | * This file is part of MoleCuilder.
|
---|
| 9 | *
|
---|
| 10 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
| 11 | * it under the terms of the GNU General Public License as published by
|
---|
| 12 | * the Free Software Foundation, either version 2 of the License, or
|
---|
| 13 | * (at your option) any later version.
|
---|
| 14 | *
|
---|
| 15 | * MoleCuilder is distributed in the hope that it will be useful,
|
---|
| 16 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
---|
| 17 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
---|
| 18 | * GNU General Public License for more details.
|
---|
| 19 | *
|
---|
| 20 | * You should have received a copy of the GNU General Public License
|
---|
| 21 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
[949953] | 22 | */
|
---|
| 23 |
|
---|
| 24 | /*
|
---|
| 25 | * cleanUp.cpp
|
---|
| 26 | *
|
---|
| 27 | * Created on: Oct 28, 2011
|
---|
| 28 | * Author: heber
|
---|
| 29 | */
|
---|
| 30 |
|
---|
| 31 | // include config.h
|
---|
| 32 | #ifdef HAVE_CONFIG_H
|
---|
| 33 | #include <config.h>
|
---|
| 34 | #endif
|
---|
| 35 |
|
---|
| 36 | #include <iostream>
|
---|
| 37 | #include <iomanip>
|
---|
| 38 |
|
---|
| 39 | #include "CodePatterns/MemDebug.hpp"
|
---|
| 40 |
|
---|
| 41 | #include "cleanUp.hpp"
|
---|
| 42 |
|
---|
[c9c3c9] | 43 | #include "Atom/AtomObserver.hpp"
|
---|
| 44 |
|
---|
[949953] | 45 | #include "CodePatterns/Chronos.hpp"
|
---|
| 46 | #include "CodePatterns/errorlogger.hpp"
|
---|
| 47 | #include "CodePatterns/logger.hpp"
|
---|
[856d05] | 48 | #include "CodePatterns/Observer/ObserverLog.hpp"
|
---|
[949953] | 49 |
|
---|
[628577] | 50 | #include "Actions/ActionQueue.hpp"
|
---|
[949953] | 51 | #include "Actions/OptionRegistry.hpp"
|
---|
| 52 |
|
---|
[7f8c9a] | 53 | #include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp"
|
---|
| 54 |
|
---|
[96c7d2] | 55 | #include "Potentials/PotentialFactory.hpp"
|
---|
| 56 | #include "Potentials/PotentialRegistry.hpp"
|
---|
| 57 |
|
---|
[949953] | 58 | #include "RandomNumbers/RandomNumberDistributionFactory.hpp"
|
---|
| 59 | #include "RandomNumbers/RandomNumberEngineFactory.hpp"
|
---|
| 60 | #include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
|
---|
| 61 |
|
---|
| 62 | #include "Parser/ChangeTracker.hpp"
|
---|
| 63 | #include "Parser/FormatParserStorage.hpp"
|
---|
[856d05] | 64 | #include "Parser/XmlParser.hpp"
|
---|
[949953] | 65 |
|
---|
[ff9e5a] | 66 | #include "Shapes/ShapeFactory.hpp"
|
---|
| 67 | #include "Shapes/ShapeRegistry.hpp"
|
---|
| 68 |
|
---|
[949953] | 69 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
|
---|
| 70 | #include "UIElements/Menu/MenuDescription.hpp"
|
---|
| 71 | #include "UIElements/UIFactory.hpp"
|
---|
| 72 | #include "World.hpp"
|
---|
[856d05] | 73 | #include "WorldTime.hpp"
|
---|
[949953] | 74 |
|
---|
| 75 | /** In this function all dynamicly allocated member variables to static/global
|
---|
| 76 | * variables are added to the ignore list of Memory/MemDebug.
|
---|
| 77 | *
|
---|
| 78 | * Use this to prevent their listing in the Memory::getState() at the end of the
|
---|
| 79 | * program. Check with valgrind that truely no memory leak occurs!
|
---|
| 80 | */
|
---|
| 81 | void AddStaticEntitiestoIgnoreList()
|
---|
| 82 | {
|
---|
| 83 | // zeroVec and unitVec are global variables (on the stack) but vectorContent
|
---|
| 84 | // within is situated on the heap and has to be ignored
|
---|
| 85 | Memory::ignore(zeroVec.get());
|
---|
| 86 | Memory::ignore(unitVec[0].get());
|
---|
| 87 | Memory::ignore(unitVec[1].get());
|
---|
| 88 | Memory::ignore(unitVec[2].get());
|
---|
[856d05] | 89 |
|
---|
| 90 | // XmlParser has static instance that uses vectorContent as well
|
---|
| 91 | Memory::ignore(FormatParser< xml >::defaultAtomInfo.field.get());
|
---|
[949953] | 92 | }
|
---|
| 93 |
|
---|
[567357] | 94 | /** purges all static (singleton) instances in correct order of dependency.
|
---|
| 95 | *
|
---|
[949953] | 96 | */
|
---|
[567357] | 97 | void purgeStaticInstances()
|
---|
[949953] | 98 | {
|
---|
[415ddd] | 99 | // make sure that ActionQueue is already purged!
|
---|
[7f8c9a] | 100 | FragmentationResultContainer::purgeInstance();
|
---|
[949953] | 101 | Chronos::purgeInstance();
|
---|
[96c7d2] | 102 | PotentialFactory::purgeInstance();
|
---|
| 103 | PotentialRegistry::purgeInstance();
|
---|
[949953] | 104 | RandomNumberDistributionFactory::purgeInstance();
|
---|
| 105 | RandomNumberEngineFactory::purgeInstance();
|
---|
| 106 | RandomNumberGeneratorFactory::purgeInstance();
|
---|
[ff9e5a] | 107 | ShapeFactory::purgeInstance();
|
---|
| 108 | ShapeRegistry::purgeInstance();
|
---|
[949953] | 109 | FormatParserStorage::purgeInstance();
|
---|
| 110 | ChangeTracker::purgeInstance();
|
---|
| 111 | World::purgeInstance();
|
---|
[c9c3c9] | 112 | AtomObserver::purgeInstance();
|
---|
[949953] | 113 | MenuDescription::purgeInstance();
|
---|
| 114 | UIFactory::purgeInstance();
|
---|
| 115 | CommandLineParser::purgeInstance();
|
---|
[567357] | 116 | logger::purgeInstance();
|
---|
| 117 | errorLogger::purgeInstance();
|
---|
[856d05] | 118 | WorldTime::purgeInstance();
|
---|
[567357] | 119 | }
|
---|
| 120 |
|
---|
[415ddd] | 121 | void stopAndPurgeQueue()
|
---|
| 122 | {
|
---|
[74459a] | 123 | #ifdef HAVE_ACTION_THREAD
|
---|
[415ddd] | 124 | // adding a wait here such that ActionQueue's run_thread is done any may stop
|
---|
| 125 | waitQueue();
|
---|
[74459a] | 126 | #endif
|
---|
[415ddd] | 127 | MoleCuilder::ActionQueue::purgeInstance();
|
---|
| 128 | MoleCuilder::OptionRegistry::purgeInstance();
|
---|
| 129 | }
|
---|
| 130 |
|
---|
| 131 | void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens);
|
---|
| 132 |
|
---|
[567357] | 133 | /** Cleans all singleton instances in an orderly fashion.
|
---|
| 134 | * C++ does not guarantee any specific sequence of removal of single instances
|
---|
| 135 | * which have static/global variables. Some singletons depend on others hence we
|
---|
[415ddd] | 136 | * ascertain a specific ordering here, which is is used via the atexit() hook.
|
---|
[567357] | 137 | */
|
---|
| 138 | void cleanUp()
|
---|
| 139 | {
|
---|
[415ddd] | 140 | // stop queue
|
---|
| 141 | const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
|
---|
| 142 | stopAndPurgeQueue();
|
---|
| 143 | // give timings per Action, requires still present Chronos
|
---|
| 144 | printTimings(tokens);
|
---|
| 145 |
|
---|
[567357] | 146 | // purge static instances from memory
|
---|
| 147 | purgeStaticInstances();
|
---|
[949953] | 148 | // put some static variables' dynamic contents on the Memory::ignore map to avoid their
|
---|
| 149 | // admonishing lateron
|
---|
| 150 | AddStaticEntitiestoIgnoreList();
|
---|
| 151 | #ifdef LOG_OBSERVER
|
---|
| 152 | cout << observerLog().getLog();
|
---|
[856d05] | 153 | #endif
|
---|
| 154 | #ifndef NDEBUG
|
---|
[708277] | 155 | // CodePatterns always initializes observerLog except with NDEBUG
|
---|
[856d05] | 156 | ObserverLog::purgeInstance();
|
---|
[949953] | 157 | #endif
|
---|
| 158 | Memory::getState();
|
---|
| 159 | }
|
---|
| 160 |
|
---|
| 161 | /** We give a list of all times per action and a total time.
|
---|
| 162 | *
|
---|
[415ddd] | 163 | * We require a list of Action tokens such that we do not access the ActionQueue.
|
---|
| 164 | * Timings are printed when Actions have all been performed, hence the queue should
|
---|
| 165 | * already be purged and we cannot access it anymore.
|
---|
| 166 | *
|
---|
| 167 | * \param tokens
|
---|
[949953] | 168 | */
|
---|
[415ddd] | 169 | void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens)
|
---|
[949953] | 170 | {
|
---|
[415ddd] | 171 | // const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
|
---|
[949953] | 172 | const Chronos &Chron = Chronos::getInstance();
|
---|
[3b0d2a] | 173 | if (!DoLog(2)) {
|
---|
| 174 | std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
|
---|
[690741] | 175 | for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin();
|
---|
| 176 | iter != tokens.end(); ++iter)
|
---|
| 177 | if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used
|
---|
| 178 | std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter;
|
---|
[3b0d2a] | 179 | std::cout << setiosflags(ios::left)
|
---|
| 180 | #ifdef HAVE_SYS_TIMES_H
|
---|
| 181 | << setprecision(3)
|
---|
| 182 | #else
|
---|
| 183 | << setprecision(9)
|
---|
| 184 | #endif
|
---|
[690741] | 185 | << fixed << Chron.getTime(*iter) << std::endl;
|
---|
[3b0d2a] | 186 | }
|
---|
| 187 | } else {
|
---|
| 188 | std::cout << "Measured times [seconds]:" << std::endl;
|
---|
| 189 | const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
|
---|
| 190 | for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
|
---|
| 191 | iter != timemap.end();
|
---|
| 192 | ++iter) {
|
---|
[949953] | 193 | std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
|
---|
[ddeed2] | 194 | std::cout << setiosflags(ios::left)
|
---|
| 195 | #ifdef HAVE_SYS_TIMES_H
|
---|
| 196 | << setprecision(3)
|
---|
| 197 | #else
|
---|
| 198 | << setprecision(9)
|
---|
| 199 | #endif
|
---|
[3b0d2a] | 200 | << fixed << iter->second << std::endl;
|
---|
[949953] | 201 | }
|
---|
[3b0d2a] | 202 | }
|
---|
[949953] | 203 | std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl;
|
---|
| 204 | std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl;
|
---|
| 205 | }
|
---|
[b5d38d] | 206 |
|
---|
| 207 | /** Dump current memory chunks.
|
---|
| 208 | *
|
---|
| 209 | */
|
---|
| 210 | void dumpMemory()
|
---|
| 211 | {
|
---|
| 212 | ofstream ost("molecuilder.memdump");
|
---|
| 213 | Memory::dumpMemory(ost);
|
---|
| 214 | }
|
---|
| 215 |
|
---|
| 216 | /** Save the current World to output files and exit.
|
---|
| 217 | *
|
---|
| 218 | * @return retrieved from World::getExitFlag()
|
---|
| 219 | */
|
---|
| 220 | int saveAll()
|
---|
| 221 | {
|
---|
| 222 | FormatParserStorage::getInstance().SaveAll();
|
---|
| 223 | ChangeTracker::getInstance().saveStatus();
|
---|
| 224 |
|
---|
| 225 | int ExitFlag = World::getInstance().getExitFlag();
|
---|
| 226 | return (ExitFlag == 1 ? 0 : ExitFlag);
|
---|
| 227 | }
|
---|
[415ddd] | 228 |
|
---|
[74459a] | 229 | #ifdef HAVE_ACTION_THREAD
|
---|
[415ddd] | 230 | /** Stops the queue such that all Actions are done.
|
---|
| 231 | *
|
---|
| 232 | */
|
---|
| 233 | void stopQueue()
|
---|
| 234 | {
|
---|
| 235 | MoleCuilder::ActionQueue::getInstance().stop();
|
---|
| 236 | }
|
---|
| 237 |
|
---|
| 238 | /** Waits for the queue to idle.
|
---|
| 239 | *
|
---|
| 240 | */
|
---|
| 241 | void waitQueue()
|
---|
| 242 | {
|
---|
| 243 | MoleCuilder::ActionQueue::getInstance().wait();
|
---|
| 244 | }
|
---|
[74459a] | 245 | #endif
|
---|