| [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 | 
 | 
|---|
 | 53 | #include "RandomNumbers/RandomNumberDistributionFactory.hpp"
 | 
|---|
 | 54 | #include "RandomNumbers/RandomNumberEngineFactory.hpp"
 | 
|---|
 | 55 | #include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
 | 
|---|
 | 56 | 
 | 
|---|
 | 57 | #include "Parser/ChangeTracker.hpp"
 | 
|---|
 | 58 | #include "Parser/FormatParserStorage.hpp"
 | 
|---|
| [856d05] | 59 | #include "Parser/XmlParser.hpp"
 | 
|---|
| [949953] | 60 | 
 | 
|---|
| [ff9e5a] | 61 | #include "Shapes/ShapeFactory.hpp"
 | 
|---|
 | 62 | #include "Shapes/ShapeRegistry.hpp"
 | 
|---|
 | 63 | 
 | 
|---|
| [949953] | 64 | #include "UIElements/CommandLineUI/CommandLineParser.hpp"
 | 
|---|
 | 65 | #include "UIElements/Menu/MenuDescription.hpp"
 | 
|---|
 | 66 | #include "UIElements/UIFactory.hpp"
 | 
|---|
 | 67 | #include "World.hpp"
 | 
|---|
| [856d05] | 68 | #include "WorldTime.hpp"
 | 
|---|
| [949953] | 69 | 
 | 
|---|
 | 70 | /** In this function all dynamicly allocated member variables to static/global
 | 
|---|
 | 71 |  * variables are added to the ignore list of Memory/MemDebug.
 | 
|---|
 | 72 |  *
 | 
|---|
 | 73 |  * Use this to prevent their listing in the Memory::getState() at the end of the
 | 
|---|
 | 74 |  * program. Check with valgrind that truely no memory leak occurs!
 | 
|---|
 | 75 |  */
 | 
|---|
 | 76 | void AddStaticEntitiestoIgnoreList()
 | 
|---|
 | 77 | {
 | 
|---|
 | 78 |   // zeroVec and unitVec are global variables (on the stack) but vectorContent
 | 
|---|
 | 79 |   // within is situated on the heap and has to be ignored
 | 
|---|
 | 80 |   Memory::ignore(zeroVec.get());
 | 
|---|
 | 81 |   Memory::ignore(unitVec[0].get());
 | 
|---|
 | 82 |   Memory::ignore(unitVec[1].get());
 | 
|---|
 | 83 |   Memory::ignore(unitVec[2].get());
 | 
|---|
| [856d05] | 84 | 
 | 
|---|
 | 85 |   // XmlParser has static instance that uses vectorContent as well
 | 
|---|
 | 86 |   Memory::ignore(FormatParser< xml >::defaultAtomInfo.field.get());
 | 
|---|
| [949953] | 87 | }
 | 
|---|
 | 88 | 
 | 
|---|
| [567357] | 89 | /** purges all static (singleton) instances in correct order of dependency.
 | 
|---|
 | 90 |  *
 | 
|---|
| [949953] | 91 |  */
 | 
|---|
| [567357] | 92 | void purgeStaticInstances()
 | 
|---|
| [949953] | 93 | {
 | 
|---|
 | 94 |   Chronos::purgeInstance();
 | 
|---|
 | 95 |   RandomNumberDistributionFactory::purgeInstance();
 | 
|---|
 | 96 |   RandomNumberEngineFactory::purgeInstance();
 | 
|---|
 | 97 |   RandomNumberGeneratorFactory::purgeInstance();
 | 
|---|
| [ff9e5a] | 98 |   ShapeFactory::purgeInstance();
 | 
|---|
 | 99 |   ShapeRegistry::purgeInstance();
 | 
|---|
| [949953] | 100 |   FormatParserStorage::purgeInstance();
 | 
|---|
 | 101 |   ChangeTracker::purgeInstance();
 | 
|---|
 | 102 |   World::purgeInstance();
 | 
|---|
| [c9c3c9] | 103 |   AtomObserver::purgeInstance();
 | 
|---|
| [949953] | 104 |   MenuDescription::purgeInstance();
 | 
|---|
 | 105 |   UIFactory::purgeInstance();
 | 
|---|
 | 106 |   CommandLineParser::purgeInstance();
 | 
|---|
| [628577] | 107 |   MoleCuilder::ActionQueue::purgeInstance();
 | 
|---|
| [949953] | 108 |   MoleCuilder::OptionRegistry::purgeInstance();
 | 
|---|
| [567357] | 109 |   logger::purgeInstance();
 | 
|---|
 | 110 |   errorLogger::purgeInstance();
 | 
|---|
| [856d05] | 111 |   WorldTime::purgeInstance();
 | 
|---|
| [567357] | 112 | }
 | 
|---|
 | 113 | 
 | 
|---|
 | 114 | /** Cleans all singleton instances in an orderly fashion.
 | 
|---|
 | 115 |  * C++ does not guarantee any specific sequence of removal of single instances
 | 
|---|
 | 116 |  * which have static/global variables. Some singletons depend on others hence we
 | 
|---|
 | 117 |  * acertain a specific ordering here, which is is used via the atexit() hook.
 | 
|---|
 | 118 |  */
 | 
|---|
 | 119 | void cleanUp()
 | 
|---|
 | 120 | {
 | 
|---|
 | 121 |   // give timings per Action
 | 
|---|
 | 122 |   printTimings();
 | 
|---|
 | 123 |   // purge static instances from memory
 | 
|---|
 | 124 |   purgeStaticInstances(); 
 | 
|---|
| [949953] | 125 |   // put some static variables' dynamic contents on the Memory::ignore map to avoid their
 | 
|---|
 | 126 |   // admonishing lateron
 | 
|---|
 | 127 |   AddStaticEntitiestoIgnoreList();
 | 
|---|
 | 128 | #ifdef LOG_OBSERVER
 | 
|---|
 | 129 |   cout << observerLog().getLog();
 | 
|---|
| [856d05] | 130 | #endif
 | 
|---|
 | 131 | #ifndef NDEBUG
 | 
|---|
| [708277] | 132 |   // CodePatterns always initializes observerLog except with NDEBUG
 | 
|---|
| [856d05] | 133 |   ObserverLog::purgeInstance();
 | 
|---|
| [949953] | 134 | #endif
 | 
|---|
 | 135 |   Memory::getState();
 | 
|---|
 | 136 | }
 | 
|---|
 | 137 | 
 | 
|---|
 | 138 | /** We give a list of all times per action and a total time.
 | 
|---|
 | 139 |  *
 | 
|---|
 | 140 |  */
 | 
|---|
 | 141 | void printTimings()
 | 
|---|
 | 142 | {
 | 
|---|
| [690741] | 143 |   const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
 | 
|---|
| [949953] | 144 |   const Chronos &Chron = Chronos::getInstance();
 | 
|---|
| [3b0d2a] | 145 |   if (!DoLog(2)) {
 | 
|---|
 | 146 |     std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
 | 
|---|
| [690741] | 147 |     for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin();
 | 
|---|
 | 148 |         iter != tokens.end(); ++iter)
 | 
|---|
 | 149 |       if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used
 | 
|---|
 | 150 |         std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter;
 | 
|---|
| [3b0d2a] | 151 |         std::cout << setiosflags(ios::left)
 | 
|---|
 | 152 | #ifdef HAVE_SYS_TIMES_H
 | 
|---|
 | 153 |               << setprecision(3)
 | 
|---|
 | 154 | #else
 | 
|---|
 | 155 |               << setprecision(9)
 | 
|---|
 | 156 | #endif
 | 
|---|
| [690741] | 157 |               << fixed << Chron.getTime(*iter) << std::endl;
 | 
|---|
| [3b0d2a] | 158 |       }
 | 
|---|
 | 159 |   } else {
 | 
|---|
 | 160 |     std::cout << "Measured times [seconds]:" << std::endl;
 | 
|---|
 | 161 |     const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
 | 
|---|
 | 162 |     for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
 | 
|---|
 | 163 |         iter != timemap.end();
 | 
|---|
 | 164 |         ++iter) {
 | 
|---|
| [949953] | 165 |       std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
 | 
|---|
| [ddeed2] | 166 |       std::cout << setiosflags(ios::left)
 | 
|---|
 | 167 | #ifdef HAVE_SYS_TIMES_H
 | 
|---|
 | 168 |           << setprecision(3)
 | 
|---|
 | 169 | #else
 | 
|---|
 | 170 |           << setprecision(9)
 | 
|---|
 | 171 | #endif
 | 
|---|
| [3b0d2a] | 172 |           << fixed << iter->second << std::endl;
 | 
|---|
| [949953] | 173 |     }
 | 
|---|
| [3b0d2a] | 174 |   }
 | 
|---|
| [949953] | 175 |   std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl;
 | 
|---|
 | 176 |   std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl;
 | 
|---|
 | 177 | }
 | 
|---|
| [b5d38d] | 178 | 
 | 
|---|
 | 179 | /** Dump current memory chunks.
 | 
|---|
 | 180 |  *
 | 
|---|
 | 181 |  */
 | 
|---|
 | 182 | void dumpMemory()
 | 
|---|
 | 183 | {
 | 
|---|
 | 184 |   ofstream ost("molecuilder.memdump");
 | 
|---|
 | 185 |   Memory::dumpMemory(ost);
 | 
|---|
 | 186 | }
 | 
|---|
 | 187 | 
 | 
|---|
 | 188 | /** Save the current World to output files and exit.
 | 
|---|
 | 189 |  *
 | 
|---|
 | 190 |  * @return retrieved from World::getExitFlag()
 | 
|---|
 | 191 |  */
 | 
|---|
 | 192 | int saveAll()
 | 
|---|
 | 193 | {
 | 
|---|
 | 194 |   FormatParserStorage::getInstance().SaveAll();
 | 
|---|
 | 195 |   ChangeTracker::getInstance().saveStatus();
 | 
|---|
 | 196 | 
 | 
|---|
 | 197 |   int ExitFlag = World::getInstance().getExitFlag();
 | 
|---|
 | 198 |   return (ExitFlag == 1 ? 0 : ExitFlag);
 | 
|---|
 | 199 | }
 | 
|---|