source: src/UIElements/Qt4/Query/MoleculeQtQuery.cpp@ cb98f1

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError 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 JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since cb98f1 was f01769, checked in by Frederik Heber <heber@…>, 9 years ago

Replaced World::getAtom() wherever possible by const version.

  • some AtomSet member functions now have const atom ptr instead of atom ptr.
  • molecule can return const and non-const AtomSet.
  • added FromIdToConstAtom to allow iterate through atoms in molecule (which are stored by id, not by ptr) in const fashion.
  • in molecule::isInMolecule() is now const, ::CopyMolecule..() is non-const (because copying involves father atom who is stored non-const).
  • Property mode set to 100644
File size: 2.6 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 *
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 * MoleculeQtQuery.cpp
25 *
26 * Created on: Oct 25, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include <Qt/qboxlayout.h>
36#include <Qt/qcombobox.h>
37#include <Qt/qlabel.h>
38
39#include "CodePatterns/MemDebug.hpp"
40
41#include "UIElements/Qt4/Query/QtQuery.hpp"
42
43#include "molecule.hpp"
44#include "World.hpp"
45
46
47QtDialog::MoleculeQtQuery::MoleculeQtQuery(Parameter<const molecule *> &_param, const std::string &_title, const std::string &_description, QBoxLayout *_parent,Dialog *_dialog) :
48 QtQuery<const molecule *>(_param, _title, _description),
49 parent(_parent),
50 dialog(_dialog)
51{
52 thisLayout = new QHBoxLayout();
53 titleLabel = new QLabel(QString(getTitle().c_str()));
54 titleLabel->setToolTip(QString(getDescription().c_str()));
55 inputBox = new QComboBox();
56 // add all molecules to the combo box
57 vector<const molecule*> molecules =
58 const_cast<const World &>(World::getInstance()).getAllMolecules();
59 for(vector<const molecule*>::const_iterator iter = molecules.begin();
60 iter != molecules.end();
61 ++iter) {
62 std::stringstream sstr;
63 sstr << (*iter)->IndexNr << "\t" << (*iter)->getName();
64 inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter)->IndexNr));
65 }
66 parent->addLayout(thisLayout);
67 thisLayout->addWidget(titleLabel);
68 thisLayout->addWidget(inputBox);
69
70 connect(inputBox,SIGNAL(currentIndexChanged(int)),this,SLOT(onUpdate(int)));
71}
72
73QtDialog::MoleculeQtQuery::~MoleculeQtQuery()
74{
75}
76
77void QtDialog::MoleculeQtQuery::onUpdate(int newIndex) {
78 QVariant data = inputBox->itemData(newIndex);
79 int idx = data.toInt();
80 temp = const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(idx));
81 dialog->update();
82}
83
Note: See TracBrowser for help on using the repository browser.