source: src/UIElements/Qt4/Query/AtomQtQuery.cpp@ 136842

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 136842 was a58c16, checked in by Frederik Heber <heber@…>, 9 years ago

Replaced World::getAllAtoms() by const version where possible.

  • Property mode set to 100644
File size: 2.5 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 * AtomQtQuery.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 "Atom/atom.hpp"
44#include "World.hpp"
45
46QtDialog::AtomQtQuery::AtomQtQuery(Parameter<const atom *> &_param, const std::string &_title, const std::string &_description,QBoxLayout *_parent,Dialog *_dialog) :
47 QtQuery<const atom *>(_param, _title, _description),
48 parent(_parent),
49 dialog(_dialog)
50{
51 thisLayout = new QHBoxLayout();
52 titleLabel = new QLabel(QString(getTitle().c_str()));
53 titleLabel->setToolTip(QString(getDescription().c_str()));
54 inputBox = new QComboBox();
55 inputBox->insertItem(-1, QString("no atom"));
56 std::vector<const atom *> atoms = const_cast<const World &>(World::getInstance()).
57 getAllAtoms();
58 for (std::vector<const atom *>::const_iterator iter = atoms.begin(); iter != atoms.end(); ++iter)
59 inputBox->insertItem((*iter)->getNr(),QString::fromStdString((*iter)->getName()));
60
61 parent->addLayout(thisLayout);
62 thisLayout->addWidget(titleLabel);
63 thisLayout->addWidget(inputBox);
64
65 onUpdate(inputBox->currentIndex());
66 connect(inputBox,SIGNAL(currentIndexChanged(int)),this,SLOT(onUpdate(int)));
67}
68
69QtDialog::AtomQtQuery::~AtomQtQuery()
70{
71}
72
73void QtDialog::AtomQtQuery::onUpdate(int newIndex) {
74 QVariant data = inputBox->itemData(newIndex);
75 int idx = data.toInt();
76 temp = const_cast<const World &>(World::getInstance()).getAtom(AtomById(idx));
77 dialog->update();
78}
79
80
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