source: src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp@ bed759

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 bed759 was f62e60, checked in by Frederik Heber <heber@…>, 10 years ago

Moved QtMoleculeList files into own subfolder.

  • added QtMoleculeListView.
  • we are going to need a lot of classes for this to work properly.
  • Property mode set to 100644
File size: 2.3 KB
Line 
1/*
2 * QtMoleculeList.hpp
3 *
4 * Created on: Jan 21, 2010
5 * Author: crueger
6 */
7
8#ifndef QTMOLECULELIST_HPP_
9#define QTMOLECULELIST_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <QtGui/QStandardItem>
17#include <QtGui/QStandardItemModel>
18
19#include <boost/bimap.hpp>
20#include <map>
21#include <string>
22
23#include "CodePatterns/Observer/Observer.hpp"
24
25#include "types.hpp"
26
27class molecule;
28class MoleculeListClass;
29class QtMoleculeListView;
30
31class QtMoleculeList : public QStandardItemModel, public Observer
32{
33 Q_OBJECT
34
35public:
36 QtMoleculeList();
37 virtual ~QtMoleculeList();
38
39protected:
40 virtual void update(Observable *publisher);
41 virtual void recieveNotification(Observable *publisher, Notification_ptr notification);
42 virtual void subjectKilled(Observable *publisher);
43// virtual void paintEvent(QPaintEvent * event);
44 void refill();
45
46 static const int COLUMNCOUNT;
47 enum {NAME,VISIBILITY,ATOMCOUNT,FORMULA,OCCURRENCE,COLUMNTYPES_MAX} COLUMNTYPES;
48 static const char *COLUMNNAMES[];
49
50 QVariant headerData(int section, Qt::Orientation orientation, int role) const;
51
52private slots:
53 void moleculeChanged();
54// void visibilityChanged(QStandardItem*, int);
55
56// void rowsSelected(const QItemSelection & selected, const QItemSelection & deselected);
57
58
59signals:
60 void moleculeSelected(molecule*);
61 void moleculeUnSelected(molecule*);
62 void moleculesVisibilityChanged(const moleculeId_t, bool);
63
64private:
65 bool dirty;
66 bool clearing;
67 bool selecting;
68 bool changing;
69 bool ChangingChildrensVisibility;
70
71 friend class QtMoleculeListView;
72 QStandardItem * MoleculeToItem(const molecule * const _mol);
73
74 void addItem(const molecule * const _mol);
75 void addGroupItem(QStandardItem *&mainitem, const std::string &_molecule_formula);
76 void addMoleculeItem(QStandardItem *_groupitem, const molecule *_mol, const std::string &molecule_formula);
77 void removeItem(const molecule * const _mol);
78
79 typedef std::map<std::string, unsigned int> FormulaVisibilityCountMap_t;
80 FormulaVisibilityCountMap_t FormulaVisibilityCountMap;
81
82 typedef std::map<std::string, QStandardItem*> FormulaTreeItemMap_t;
83 //!> map of (unique) formulas in the world
84 FormulaTreeItemMap_t formula;
85
86 typedef boost::bimap<const molecule *, QStandardItem*> MoleculeItemBiMap_t;
87 MoleculeItemBiMap_t MoleculeItemBiMap;
88};
89
90#endif /* QTMOLECULELIST_HPP_ */
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