source: src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.cpp@ f10b0c

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 f10b0c was f10b0c, checked in by Frederik Heber <heber@…>, 13 years ago

disastrously big and ugly commit

  • using new Parameter<T> classes:
    • Actions
    • Queries (all UIs)
  • TODO:
    • actions crash cause Value is unset
    • no query<BoxVector>
  • Property mode set to 100644
File size: 2.0 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 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * AtomsQtQueryPipe.cpp
10 *
11 * Created on: Oct 25, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "UIElements/Qt4/Pipe/AtomsQtQueryPipe.hpp"
21#include "UIElements/Qt4/QtDialog.hpp"
22
23#include <vector>
24
25#include <Qt/qlistwidget.h>
26
27#include "Descriptors/AtomIdDescriptor.hpp"
28#include "CodePatterns/MemDebug.hpp"
29#include "World.hpp"
30
31
32AtomsQtQueryPipe::AtomsQtQueryPipe(Parameter<std::vector<const atom *> > &_content, QtDialog *_dialog, QListWidget *_theList) :
33 content(_content),
34 dialog(_dialog),
35 theList(_theList)
36{}
37
38AtomsQtQueryPipe::~AtomsQtQueryPipe()
39{}
40
41void AtomsQtQueryPipe::update() {
42 // clear target and put all atoms therein
43 std::vector<const atom *> temp_atoms;
44 for (std::set<const atom *>::iterator iter = currentList.begin(); iter != currentList.end(); ++iter)
45 temp_atoms.push_back(*iter);
46 content.set(temp_atoms);
47 dialog->update();
48}
49
50void AtomsQtQueryPipe::add() {
51 QList<QListWidgetItem *> items = theList->selectedItems();
52 for (QList<QListWidgetItem *>::iterator iter = items.begin();iter != items.end();++iter) {
53 const int index = (*iter)->text().toInt();
54 atom *Walker = World::getInstance().getAtom(AtomById(index));
55 if (Walker) {
56 currentList.insert(Walker);
57 if (lookup.find(index) != lookup.end())
58 lookup.insert(pair<int, atom*>(index, Walker));
59 }
60 }
61 update();
62}
63
64void AtomsQtQueryPipe::remove() {
65 QList<QListWidgetItem *> items = theList->selectedItems();
66 for (QList<QListWidgetItem *>::iterator iter = items.begin();iter != items.end();++iter) {
67 const int index = (*iter)->text().toInt();
68 atom *Walker = World::getInstance().getAtom(AtomById(index));
69 if (Walker) {
70 currentList.erase(Walker);
71 }
72 }
73 update();
74}
75
76
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