source: src/builder_init.cpp@ 15e197

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 15e197 was 15e197, checked in by Frederik Heber <heber@…>, 10 years ago

Command-line arguments are passed to QApplication inside QtUIFactory.

  • Property mode set to 100644
File size: 5.1 KB
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1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * builder_init.cpp
25 *
26 * Created on: Dec 15, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35// boost::python uses placement new which is incompatible with MemDebug.
36#ifdef HAVE_PYTHON
37#include "Python/PythonScripting.hpp"
38#endif
39
40#include "CodePatterns/MemDebug.hpp"
41
42#include <boost/filesystem.hpp>
43#include <fstream>
44#include <iomanip>
45#include <iostream>
46#include <iterator>
47#include <string>
48
49#include "Actions/ActionExceptions.hpp"
50
51#include "builder_init.hpp"
52#include "cleanUp.hpp"
53
54#include "CodePatterns/Log.hpp"
55
56//#include "Graph/BondGraph.hpp"
57
58#include "UIElements/UIFactory.hpp"
59#include "UIElements/CommandLineUI/CommandLineParser.hpp"
60#include "UIElements/CommandLineUI/CommandLineUIFactory.hpp"
61#ifdef USE_GUI_QT
62#include "UIElements/Qt4/QtUIFactory.hpp"
63#endif
64#include "UIElements/TextUI/TextUIFactory.hpp"
65#include "UIElements/MainWindow.hpp"
66
67#include "version.h"
68
69#include <boost/filesystem.hpp>
70
71/** Print some initial information output the program.
72 *
73 */
74void ProgramHeader()
75{
76 // print version check and copyright notice
77 cout << MOLECUILDERVERSION << endl;
78 cout << "MoleCuilder comes with ABSOLUTELY NO WARRANTY; for details type" << endl;
79 cout << "`molecuilder --warranty'." << endl;
80 cout << "MoleCuilder - to create and alter molecular systems." << endl;
81 cout << "Copyright (C) 2008-2012 University Bonn. All rights reserved." << endl;
82 cout << "Copyright (C) 2013 Frederik Heber. All rights reserved." << endl;
83 cout << "This is free software, and you are welcome to redistribute it under" << endl;
84 cout << "certain conditions; type `molecuilder --help-redistribute' for details" << endl;
85 cout << endl;
86}
87
88/** General stuff to intialize before UI.
89 *
90 */
91void initGeneral()
92{
93 // while we are non interactive, we want to abort from asserts
94 ASSERT_DO(Assert::Abort);
95 ASSERT_HOOK(dumpMemory);
96
97 ProgramHeader();
98
99 setVerbosity(1);
100
101 // from this moment on, we need to be sure to deeinitialize in the correct order
102 // this is handled by the cleanup function
103 atexit(cleanUp);
104}
105
106/** Initialize specific UIFactory.
107 *
108 * @param argc argument count
109 * @param argv argument array
110 */
111void initUI(int argc, char **argv)
112{
113 //std::string BondGraphFileName("\n");
114 // Parse command line options and if present create respective UI
115 // construct bond graph
116 //if (boost::filesystem::exists(BondGraphFileName)) {
117 // std::ifstream input(BondGraphFileName.c_str());
118 // if ((input.good()) && (World::getInstance().getBondGraph()->LoadBondLengthTable(input))) {
119 // LOG(0, "Bond length table loaded successfully.");
120 // } else {
121 // ELOG(1, "Bond length table loading failed.");
122 // }
123 // input.close();
124 //}
125
126 // if we have python, autoexecute a molecuilder script in current folder
127#ifdef HAVE_PYTHON
128 const boost::filesystem::path pythonfilename("./molecuilder.py");
129 executePythonScriptFile(pythonfilename);
130#endif
131
132 // handle remaining arguments by CommandLineParser
133 // first argument of "--test" initializes special molecuilder gui test mode
134 if ((argc>1)
135#ifdef USE_GUI_QT
136 && !QtUIFactory::isTestMode(argv[1])
137#endif
138 ) {
139 LOG(0, "Setting UI to CommandLine.");
140 CommandLineParser::getInstance().InitializeCommandArguments();
141 CommandLineParser::getInstance().Run(argc,argv);
142 UIFactory::registerFactory(new CommandLineUIFactory::description());
143 UIFactory::makeUserInterface("CommandLine");
144 } else {
145 // In the interactive mode, we can leave the user the choice in case of error
146 #ifdef USE_GUI_QT
147 if ((argc>1) && (QtUIFactory::isTestMode(argv[1])))
148 ASSERT_DO(Assert::Abort);
149 else
150 ASSERT_DO(Assert::Ask);
151 LOG(0, "Setting UI to Qt4.");
152 UIFactory::registerFactory(new QtUIFactory::description(argc, argv));
153 UIFactory::makeUserInterface("Qt4");
154 #else
155 ASSERT_DO(Assert::Ask);
156 LOG(0, "Setting UI to Text.");
157 cout << MOLECUILDERVERSION << endl;
158 UIFactory::registerFactory(new TextUIFactory::description());
159 UIFactory::makeUserInterface("Text");
160 #endif
161 }
162}
163
164/** Create MainWindow and displays.
165 * I.e. here all the Actions are parsed and done.
166 */
167void doUI()
168{
169 MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow();
170 mainWindow->display();
171 delete mainWindow;
172}
173
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