/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010-2012 University of Bonn. All rights reserved. * Copyright (C) 2013 Frederik Heber. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * cleanUp.cpp * * Created on: Oct 28, 2011 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include #include #include "CodePatterns/MemDebug.hpp" #include "cleanUp.hpp" #include "Atom/AtomObserver.hpp" #include "CodePatterns/Chronos.hpp" #include "CodePatterns/errorlogger.hpp" #include "CodePatterns/logger.hpp" #include "CodePatterns/Observer/ObserverLog.hpp" #include "CodePatterns/Observer/GlobalObservableInfo.hpp" #include "Actions/ActionQueue.hpp" #include "Actions/OptionRegistry.hpp" #include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp" #include "MoleculeObserver.hpp" #include "Potentials/PotentialFactory.hpp" #include "Potentials/PotentialRegistry.hpp" #include "RandomNumbers/RandomNumberDistributionFactory.hpp" #include "RandomNumbers/RandomNumberEngineFactory.hpp" #include "RandomNumbers/RandomNumberGeneratorFactory.hpp" #include "Parser/ChangeTracker.hpp" #include "Parser/FormatParserStorage.hpp" #include "Parser/XmlParser.hpp" #include "Shapes/ShapeFactory.hpp" #include "Shapes/ShapeRegistry.hpp" #include "UIElements/CommandLineUI/CommandLineParser.hpp" #include "UIElements/Menu/MenuDescription.hpp" #include "UIElements/UIFactory.hpp" #include "World.hpp" #include "WorldTime.hpp" /** In this function all dynamicly allocated member variables to static/global * variables are added to the ignore list of Memory/MemDebug. * * Use this to prevent their listing in the Memory::getState() at the end of the * program. Check with valgrind that truely no memory leak occurs! */ void AddStaticEntitiestoIgnoreList() { // zeroVec and unitVec are global variables (on the stack) but vectorContent // within is situated on the heap and has to be ignored Memory::ignore(zeroVec.get()); Memory::ignore(unitVec[0].get()); Memory::ignore(unitVec[1].get()); Memory::ignore(unitVec[2].get()); // XmlParser has static instance that uses vectorContent as well Memory::ignore(FormatParser< xml >::defaultAtomInfo.field.get()); } /** purges all static (singleton) instances in correct order of dependency. * */ void purgeStaticInstances() { // make sure that ActionQueue is already purged! FragmentationResultContainer::purgeInstance(); Chronos::purgeInstance(); PotentialFactory::purgeInstance(); PotentialRegistry::purgeInstance(); RandomNumberDistributionFactory::purgeInstance(); RandomNumberEngineFactory::purgeInstance(); RandomNumberGeneratorFactory::purgeInstance(); ShapeFactory::purgeInstance(); ShapeRegistry::purgeInstance(); FormatParserStorage::purgeInstance(); ChangeTracker::purgeInstance(); World::purgeInstance(); AtomObserver::purgeInstance(); MoleculeObserver::purgeInstance(); MenuDescription::purgeInstance(); UIFactory::purgeInstance(); CommandLineParser::purgeInstance(); logger::purgeInstance(); errorLogger::purgeInstance(); WorldTime::purgeInstance(); } void stopAndPurgeQueue() { #ifdef HAVE_ACTION_THREAD // adding a wait here such that ActionQueue's run_thread is done any may stop waitQueue(); #endif MoleCuilder::ActionQueue::purgeInstance(); MoleCuilder::OptionRegistry::purgeInstance(); } void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens); /** Cleans all singleton instances in an orderly fashion. * C++ does not guarantee any specific sequence of removal of single instances * which have static/global variables. Some singletons depend on others hence we * ascertain a specific ordering here, which is is used via the atexit() hook. */ void cleanUp() { // stop queue const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions(); stopAndPurgeQueue(); // give timings per Action, requires still present Chronos printTimings(tokens); // purge static instances from memory purgeStaticInstances(); // put some static variables' dynamic contents on the Memory::ignore map to avoid their // admonishing lateron AddStaticEntitiestoIgnoreList(); #ifdef LOG_OBSERVER cout << observerLog().getLog(); #endif #ifndef NDEBUG // CodePatterns always initializes observerLog except with NDEBUG ObserverLog::purgeInstance(); GlobalObservableInfo::purgeInstance(); #endif Memory::getState(); } /** We give a list of all times per action and a total time. * * We require a list of Action tokens such that we do not access the ActionQueue. * Timings are printed when Actions have all been performed, hence the queue should * already be purged and we cannot access it anymore. * * \param tokens */ void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens) { // const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions(); const Chronos &Chron = Chronos::getInstance(); if (!DoLog(2)) { std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl; for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); iter != tokens.end(); ++iter) if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter; std::cout << setiosflags(ios::left) #ifdef HAVE_SYS_TIMES_H << setprecision(3) #else << setprecision(9) #endif << fixed << Chron.getTime(*iter) << std::endl; } } else { std::cout << "Measured times [seconds]:" << std::endl; const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap(); for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin(); iter != timemap.end(); ++iter) { std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first; std::cout << setiosflags(ios::left) #ifdef HAVE_SYS_TIMES_H << setprecision(3) #else << setprecision(9) #endif << fixed << iter->second << std::endl; } } std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl; std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl; } /** Dump current memory chunks. * */ void dumpMemory() { ofstream ost("molecuilder.memdump"); Memory::dumpMemory(ost); } /** Save the current World to output files and exit. * * @return retrieved from World::getExitFlag() */ int saveAll() { FormatParserStorage::getInstance().SaveAll(); ChangeTracker::getInstance().saveStatus(); int ExitFlag = World::getInstance().getExitFlag(); return (ExitFlag == 1 ? 0 : ExitFlag); } #ifdef HAVE_ACTION_THREAD /** Stops the queue such that all Actions are done. * */ void stopQueue() { MoleCuilder::ActionQueue::getInstance().stop(); } /** Waits for the queue to idle. * */ void waitQueue() { MoleCuilder::ActionQueue::getInstance().wait(); } #endif