source: src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.cpp@ 8df74d

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 v1.0.5
Last change on this file since 8df74d was 8df74d, checked in by Frederik Heber <heber@…>, 14 years ago

Split off all ...Query and ...Pipe boilerplate classes.

  • each subclass in the dialog nor resides in its own file in a folder called Query (or Pipe).
  • only submoduled (no header files created, except for templated QtQueryListPipe class)
  • includes have been separated
  • Property mode set to 100644
File size: 1.9 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 * 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/QtDialog.hpp"
21
22#include <vector>
23
24#include <Qt/qlistwidget.h>
25
26#include "Descriptors/AtomIdDescriptor.hpp"
27#include "Helpers/MemDebug.hpp"
28#include "World.hpp"
29
30
31AtomsQtQueryPipe::AtomsQtQueryPipe(std::vector<atom *>*_content, QtDialog *_dialog, QListWidget *_theList) :
32 content(_content),
33 dialog(_dialog),
34 theList(_theList)
35{}
36
37AtomsQtQueryPipe::~AtomsQtQueryPipe()
38{}
39
40void AtomsQtQueryPipe::update() {
41 // clear target and put all atoms therein
42 (*content).clear();
43 for (std::set<atom *>::iterator iter = currentList.begin(); iter != currentList.end(); ++iter)
44 (*content).push_back(*iter);
45 dialog->update();
46}
47
48void AtomsQtQueryPipe::add() {
49 QList<QListWidgetItem *> items = theList->selectedItems();
50 for (QList<QListWidgetItem *>::iterator iter = items.begin();iter != items.end();++iter) {
51 const int index = (*iter)->text().toInt();
52 atom *Walker = World::getInstance().getAtom(AtomById(index));
53 if (Walker) {
54 (*content).push_back(Walker);
55 currentList.insert(Walker);
56 if (lookup.find(index) != lookup.end())
57 lookup.insert(pair<int, atom*>(index, Walker));
58 }
59 }
60 update();
61}
62
63void AtomsQtQueryPipe::remove() {
64 QList<QListWidgetItem *> items = theList->selectedItems();
65 for (QList<QListWidgetItem *>::iterator iter = items.begin();iter != items.end();++iter) {
66 const int index = (*iter)->text().toInt();
67 atom *Walker = World::getInstance().getAtom(AtomById(index));
68 if (Walker) {
69 currentList.erase(Walker);
70 }
71 }
72 update();
73}
74
75
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