source: src/builder_init.cpp@ 3f9eba

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Last change on this file since 3f9eba was 3f9eba, checked in by Frederik Heber <heber@…>, 15 years ago

New classes for random number generation.

  • we use boost::random as a basis. It implements a lot of pseudo-random engines and various distributions. However, everything is templated and there are no base classes to store prototypes of the instances in a map. We need these such that we are able to offer the user at run-time every choice possible.
  • Hence, we need to encapsulate all engines, distributions and (engine, distribution) tuples: RandomNumber..._Encapsulation classes.
  • each with an abstract base class as the interface: RandomNumber... classes.
  • RandomNumberGeneratorFactory is then a singleton that contains all the Maps and tables:
    • from string (user input is string) to enum (storing enum is more efficient that a lengthy string)
    • from enum to instance (of the abstract class).
  • RandomNumberGeneratorFactory is a singleton to allow for global control of what kind of numbers are generated, hence there are also two new Actions:
  • The user in the end only uses two classes: RandomNumberGeneratorFactory and RandomNumberGenerator. The first only for obtaining a specific variant of the latter and the latter to generate the numbers (operator() is passed on to boost::variate_generator::operator()).
  • There is a unit test on the RandomNumberGeneratorFactory that checks some of the table entries and whether one of the RandomNumberGenerator is working (uniform_smallint so far).

Details:

  • As there are ~25 engines and ~15 distributions this makes an enormous amount of possible combinations. To automatically construct these, we use some stuff from boost::preprocessor in order to generate enums, tables and maps automatically just from a sequence of the typenames.
  • we have be-friended the unit test a lot to allow for easier testing, e.g. we need access to internal ..._type to test whether their type is correct.
  • cleanUp() purges the instance of RandomNumberGeneratorFactory.
  • in RandomNumber..._Encapsulation::name() functions are only used for the unit tests.
  • this all resides in its own subfolder RandomNumbers. So far, it is completely independent of everything else.
  • Property mode set to 100644
File size: 6.6 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * builder_init.cpp
10 *
11 * Created on: Dec 15, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "bondgraph.hpp"
23#include "config.hpp"
24#include "CodePatterns/Log.hpp"
25#include "molecule.hpp"
26#include "periodentafel.hpp"
27#include "tesselationhelpers.hpp"
28#include "UIElements/UIFactory.hpp"
29#include "UIElements/Menu/MenuDescription.hpp"
30#include "UIElements/TextUI/TextUIFactory.hpp"
31#include "UIElements/CommandLineUI/CommandLineUIFactory.hpp"
32#include "UIElements/CommandLineUI/CommandLineParser.hpp"
33#ifdef USE_GUI_QT
34#include "UIElements/Qt4/QtUIFactory.hpp"
35#endif
36#include "UIElements/MainWindow.hpp"
37#include "UIElements/Dialog.hpp"
38//#include "Menu/ActionMenuItem.hpp"
39#include "CodePatterns/Verbose.hpp"
40#include "World.hpp"
41
42#include "Actions/ActionRegistry.hpp"
43#include "Actions/ActionHistory.hpp"
44
45#include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
46
47#include "Parser/ChangeTracker.hpp"
48#include "Parser/FormatParserStorage.hpp"
49
50#include "UIElements/UIFactory.hpp"
51#include "UIElements/TextUI/TextUIFactory.hpp"
52#include "UIElements/CommandLineUI/CommandLineUIFactory.hpp"
53#include "UIElements/MainWindow.hpp"
54#include "UIElements/Dialog.hpp"
55
56#include "version.h"
57
58#include "builder_init.hpp"
59
60/** Print some initial information output the program.
61 *
62 */
63void ProgramHeader()
64{
65 // print version check and copyright notice
66 cout << MOLECUILDERVERSION << endl;
67 cout << "MoleCuilder comes with ABSOLUTELY NO WARRANTY; for details type" << endl;
68 cout << "`molecuilder --warranty'." << endl;
69 cout << "`MoleCuilder - to create and alter molecular systems." << endl;
70 cout << "Copyright (C) 2010 University Bonn. All rights reserved." << endl;
71 cout << endl;
72}
73
74/** General stuff to intialize before UI.
75 *
76 */
77void initGeneral()
78{
79 // while we are non interactive, we want to abort from asserts
80 ASSERT_DO(Assert::Abort);
81 ASSERT_HOOK(dumpMemory);
82
83 ProgramHeader();
84
85 setVerbosity(1);
86 // need to init the history before any action is created
87 ActionHistory::init();
88
89 // from this moment on, we need to be sure to deeinitialize in the correct order
90 // this is handled by the cleanup function
91 atexit(cleanUp);
92}
93
94/** Initialize specific UIFactory.
95 *
96 * @param argc argument count
97 * @param argv argument array
98 */
99void initUI(int argc, char **argv)
100{
101 std::string BondGraphFileName("\n");
102 // Parse command line options and if present create respective UI
103 // construct bond graph
104 if (World::getInstance().getConfig()->BG == NULL) {
105 World::getInstance().getConfig()->BG = new BondGraph(World::getInstance().getConfig()->GetIsAngstroem());
106 if (boost::filesystem::exists(BondGraphFileName)) {
107 if (World::getInstance().getConfig()->BG->LoadBondLengthTable(BondGraphFileName)) {
108 DoLog(0) && (Log() << Verbose(0) << "Bond length table loaded successfully." << endl);
109 } else {
110 DoeLog(1) && (eLog()<< Verbose(1) << "Bond length table loading failed." << endl);
111 }
112 }
113 }
114 // handle remaining arguments by CommandLineParser
115 if (argc>1) {
116 DoLog(0) && (Log() << Verbose(0) << "Setting UI to CommandLine." << endl);
117 CommandLineParser::getInstance().InitializeCommandArguments();
118 CommandLineParser::getInstance().Run(argc,argv);
119 UIFactory::registerFactory(new CommandLineUIFactory::description());
120 UIFactory::makeUserInterface("CommandLine");
121 } else {
122 // In the interactive mode, we can leave the user the choice in case of error
123 ASSERT_DO(Assert::Ask);
124 #ifdef USE_GUI_QT
125 DoLog(0) && (Log() << Verbose(0) << "Setting UI to Qt4." << endl);
126 UIFactory::registerFactory(new QtUIFactory::description());
127 UIFactory::makeUserInterface("Qt4");
128 #else
129 DoLog(0) && (Log() << Verbose(0) << "Setting UI to Text." << endl);
130 cout << MOLECUILDERVERSION << endl;
131 UIFactory::registerFactory(new TextUIFactory::description());
132 UIFactory::makeUserInterface("Text");
133 #endif
134 }
135}
136
137/** Create MainWindow and displays.
138 * I.e. here all the Actions are parsed and done.
139 */
140void doUI()
141{
142 MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow();
143 mainWindow->display();
144 delete mainWindow;
145}
146
147
148/** In this function all dynamicly allocated member variables to static/global
149 * variables are added to the ignore list of Memory/MemDebug.
150 *
151 * Use this to prevent their listing in the Memory::getState() at the end of the
152 * program. Check with valgrind that truely no memory leak occurs!
153 */
154void AddStaticEntitiestoIgnoreList()
155{
156 // zeroVec and unitVec are global variables (on the stack) but vectorContent
157 // within is situated on the heap and has to be ignored
158 Memory::ignore(zeroVec.get());
159 Memory::ignore(unitVec[0].get());
160 Memory::ignore(unitVec[1].get());
161 Memory::ignore(unitVec[2].get());
162}
163
164/** Cleans all singleton instances in an orderly fashion.
165 * C++ does not guarantee any specific sequence of removal of single instances
166 * which have static/global variables. Some singletons depend on others hence we
167 * acertain a specific ordering here, which is is used via the atexit() hook.
168 */
169void cleanUp()
170{
171 RandomNumberGeneratorFactory::purgeInstance();
172 FormatParserStorage::purgeInstance();
173 ChangeTracker::purgeInstance();
174 World::purgeInstance();
175 MenuDescription::purgeInstance();
176 UIFactory::purgeInstance();
177 ValueStorage::purgeInstance();
178 CommandLineParser::purgeInstance();
179 ActionRegistry::purgeInstance();
180 OptionRegistry::purgeInstance();
181 ActionHistory::purgeInstance();
182 // we have to remove these two static as otherwise their boost::shared_ptrs are still present
183 Action::removeStaticStateEntities();
184 // put some static variables' dynamic contents on the Memory::ignore map to avoid their
185 // admonishing lateron
186 AddStaticEntitiestoIgnoreList();
187 logger::purgeInstance();
188 errorLogger::purgeInstance();
189#ifdef LOG_OBSERVER
190 cout << observerLog().getLog();
191#endif
192 Memory::getState();
193}
194
195/** Dump current memory chunks.
196 *
197 */
198void dumpMemory()
199{
200 ofstream ost("molecuilder.memdump");
201 Memory::dumpMemory(ost);
202}
203
204/** Save the current World to output files and exit.
205 *
206 * @return retrieved from World::getExitFlag()
207 */
208int saveAll()
209{
210 int test[500000];
211 for (size_t i=0;i<500000;++i) {
212 test[i] = (int)i;
213 }
214 FormatParserStorage::getInstance().SaveAll();
215 ChangeTracker::getInstance().saveStatus();
216
217 int ExitFlag = World::getInstance().getExitFlag();
218 return (ExitFlag == 1 ? 0 : ExitFlag);
219}
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