source: src/cleanUp.cpp@ 9eb71b3

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes
Last change on this file since 9eb71b3 was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 7.4 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
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/>.
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
43#include "Atom/AtomObserver.hpp"
44
45#include "CodePatterns/Chronos.hpp"
46#include "CodePatterns/errorlogger.hpp"
47#include "CodePatterns/logger.hpp"
48#include "CodePatterns/Observer/ObserverLog.hpp"
49#include "CodePatterns/Observer/GlobalObservableInfo.hpp"
50
51#include "Actions/ActionQueue.hpp"
52#include "Actions/OptionRegistry.hpp"
53
54#include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp"
55
56#include "MoleculeObserver.hpp"
57
58#include "Potentials/PotentialFactory.hpp"
59#include "Potentials/PotentialRegistry.hpp"
60
61#include "RandomNumbers/RandomNumberDistributionFactory.hpp"
62#include "RandomNumbers/RandomNumberEngineFactory.hpp"
63#include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
64
65#include "Parser/ChangeTracker.hpp"
66#include "Parser/FormatParserStorage.hpp"
67#include "Parser/XmlParser.hpp"
68
69#include "Shapes/ShapeFactory.hpp"
70#include "Shapes/ShapeRegistry.hpp"
71
72#include "UIElements/CommandLineUI/CommandLineParser.hpp"
73#include "UIElements/Menu/MenuDescription.hpp"
74#include "UIElements/UIFactory.hpp"
75#include "World.hpp"
76#include "WorldTime.hpp"
77
78/** In this function all dynamicly allocated member variables to static/global
79 * variables are added to the ignore list of Memory/MemDebug.
80 *
81 * Use this to prevent their listing in the Memory::getState() at the end of the
82 * program. Check with valgrind that truely no memory leak occurs!
83 */
84void AddStaticEntitiestoIgnoreList()
85{
86 // XmlParser has static instance that uses vectorContent as well
87 //Memory::ignore(FormatParser< xml >::defaultAtomInfo.field.get());
88}
89
90/** purges all static (singleton) instances in correct order of dependency.
91 *
92 */
93void purgeStaticInstances()
94{
95 // make sure that ActionQueue is already purged!
96 FragmentationResultContainer::purgeInstance();
97 Chronos::purgeInstance();
98 PotentialFactory::purgeInstance();
99 PotentialRegistry::purgeInstance();
100 RandomNumberDistributionFactory::purgeInstance();
101 RandomNumberEngineFactory::purgeInstance();
102 RandomNumberGeneratorFactory::purgeInstance();
103 ShapeFactory::purgeInstance();
104 ShapeRegistry::purgeInstance();
105 FormatParserStorage::purgeInstance();
106 ChangeTracker::purgeInstance();
107 World::purgeInstance();
108 AtomObserver::purgeInstance();
109 MoleculeObserver::purgeInstance();
110 MenuDescription::purgeInstance();
111 UIFactory::purgeInstance();
112 CommandLineParser::purgeInstance();
113 logger::purgeInstance();
114 errorLogger::purgeInstance();
115 WorldTime::purgeInstance();
116}
117
118void stopAndPurgeQueue()
119{
120#ifdef HAVE_ACTION_THREAD
121 // adding a wait here such that ActionQueue's run_thread is done any may stop
122 waitQueue();
123#endif
124 MoleCuilder::ActionQueue::purgeInstance();
125 MoleCuilder::OptionRegistry::purgeInstance();
126}
127
128void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens);
129
130/** Cleans all singleton instances in an orderly fashion.
131 * C++ does not guarantee any specific sequence of removal of single instances
132 * which have static/global variables. Some singletons depend on others hence we
133 * ascertain a specific ordering here, which is is used via the atexit() hook.
134 */
135void cleanUp()
136{
137 // stop queue
138 const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
139 stopAndPurgeQueue();
140 // give timings per Action, requires still present Chronos
141 printTimings(tokens);
142
143 // purge static instances from memory
144 purgeStaticInstances();
145 // put some static variables' dynamic contents on the Memory::ignore map to avoid their
146 // admonishing lateron
147 AddStaticEntitiestoIgnoreList();
148#ifdef LOG_OBSERVER
149 cout << observerLog().getLog();
150#endif
151#ifndef NDEBUG
152 // CodePatterns always initializes observerLog except with NDEBUG
153 ObserverLog::purgeInstance();
154 GlobalObservableInfo::purgeInstance();
155#endif
156 //Memory::getState();
157}
158
159/** We give a list of all times per action and a total time.
160 *
161 * We require a list of Action tokens such that we do not access the ActionQueue.
162 * Timings are printed when Actions have all been performed, hence the queue should
163 * already be purged and we cannot access it anymore.
164 *
165 * \param tokens
166 */
167void printTimings(const MoleCuilder::ActionQueue::ActionTokens_t &tokens)
168{
169// const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions();
170 const Chronos &Chron = Chronos::getInstance();
171 if (!DoLog(2)) {
172 std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
173 for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin();
174 iter != tokens.end(); ++iter)
175 if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used
176 std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter;
177 std::cout << setiosflags(ios::left)
178#ifdef HAVE_SYS_TIMES_H
179 << setprecision(3)
180#else
181 << setprecision(9)
182#endif
183 << fixed << Chron.getTime(*iter) << std::endl;
184 }
185 } else {
186 std::cout << "Measured times [seconds]:" << std::endl;
187 const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
188 for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
189 iter != timemap.end();
190 ++iter) {
191 std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
192 std::cout << setiosflags(ios::left)
193#ifdef HAVE_SYS_TIMES_H
194 << setprecision(3)
195#else
196 << setprecision(9)
197#endif
198 << fixed << iter->second << std::endl;
199 }
200 }
201 std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl;
202 std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl;
203}
204
205/** Dump current memory chunks.
206 *
207 */
208void dumpMemory()
209{
210 //ofstream ost("molecuilder.memdump");
211 //Memory::dumpMemory(ost);
212}
213
214/** Save the current World to output files and exit.
215 *
216 * @return retrieved from World::getExitFlag()
217 */
218int saveAll()
219{
220 FormatParserStorage::getInstance().SaveAll();
221 ChangeTracker::getInstance().saveStatus();
222
223 int ExitFlag = World::getInstance().getExitFlag();
224 return (ExitFlag == 1 ? 0 : ExitFlag);
225}
226
227#ifdef HAVE_ACTION_THREAD
228/** Stops the queue such that all Actions are done.
229 *
230 */
231void stopQueue()
232{
233 MoleCuilder::ActionQueue::getInstance().stop();
234}
235
236/** Waits for the queue to idle.
237 *
238 */
239void waitQueue()
240{
241 MoleCuilder::ActionQueue::getInstance().wait();
242}
243#endif
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