source: src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp@ 546f7d

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fixes 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 IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation 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 SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 546f7d was 097da7, checked in by Frederik Heber <heber@…>, 10 years ago

FIX: QtMoleculeList has flag to tell when nameChanged came from outside.

  • this causes irregular calls to getMoleculeIdToIndex() which could crash the code due to the present assertion.
  • Property mode set to 100644
File size: 3.9 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/QItemSelection>
17#include <QtGui/QStandardItem>
18#include <QtGui/QStandardItemModel>
19#include <QTimer>
20
21#include <boost/bimap.hpp>
22#include <boost/thread/recursive_mutex.hpp>
23#include <map>
24#include <set>
25#include <string>
26
27#include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp"
28#include "UIElements/Views/Qt4/MoleculeList/QtObservedMoleculeObserver.hpp"
29#include "UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp"
30
31#include "types.hpp"
32
33class QtMoleculeItem;
34class QtMoleculeListView;
35class QtObservedInstanceBoard;
36
37class QtMoleculeList : public QStandardItemModel
38{
39 Q_OBJECT
40
41public:
42 QtMoleculeList(QtObservedInstanceBoard *_board, QObject *_parent = NULL);
43 virtual ~QtMoleculeList();
44
45 void resetUpdateTimer();
46
47 QVariant headerData(int section, Qt::Orientation orientation, int role) const;
48
49private slots:
50 void formulaChanged(const QtObservedMolecule::ptr _mol);
51 void nameChanged(const QtObservedMolecule::ptr _mol);
52 void atomcountChanged(const QtObservedMolecule::ptr _mol);
53
54 void moleculeNameChanged(QStandardItem*);
55 void checkForVisibilityChange(QStandardItem*);
56
57signals:
58 void moleculesVisibilityChanged(ObservedValue_Index_t, bool);
59 void MayStartSelections();
60 void MayNotStartSelections();
61
62private slots:
63 void moleculeInserted(QtObservedMolecule::ptr _mol);
64 void moleculeRemoved(ObservedValue_Index_t _id);
65
66private:
67 friend class QtMoleculeListView;
68
69 bool isMoleculeItemPresent(ObservedValue_Index_t _id) const;
70 QtMoleculeItem * MoleculeIdToItem(ObservedValue_Index_t _id) const;
71 ObservedValue_Index_t ItemToMoleculeId(const QtMoleculeItem * const _item) const;
72 const QModelIndex MoleculeIdToIndex(ObservedValue_Index_t _id) const;
73 ObservedValue_Index_t IndexToMoleculeId(const QModelIndex &_index) const;
74 QtMoleculeItem * getSpecificMoleculeItem(
75 const QtMoleculeItem * const _item,
76 const enum QtMoleculeItem::COLUMNTYPES _type) const;
77 bool isGroupItemPresent(const std::string &_formula) const;
78 const std::string& GroupItemToFormula(const QStandardItem * const _item) const;
79 QStandardItem * FormulaToGroupItem(const std::string &_formula) const;
80 QStandardItem * getSpecificGroupItem(
81 const QStandardItem * const _item,
82 const enum QtMoleculeItem::COLUMNTYPES _type) const;
83
84 std::string addMolecule(
85 QtObservedMolecule::ptr &_ObservedMolecule);
86 void addGroupItem(
87 QStandardItem *&mainitem,
88 const std::string &_molecule_formula);
89 QList<QStandardItem *> createMoleculeItems(
90 QtObservedMolecule::ptr &_ObservedMolecule,
91 std::string &molecule_formula);
92 void removeMoleculeItem(QtMoleculeItem * const _item);
93 int setOccurrence(QStandardItem * const _groupitem);
94 void setVisibilityForMoleculeItem(QtMoleculeItem* _item);
95 void setVisibilityForGroupItem(QStandardItem* _item);
96 void moveItem(QtMoleculeItem *_molitem, const std::string &_new_formula);
97
98// void updateItemStates();
99
100 //!> reference to InstanceBoard
101 QtObservedInstanceBoard *board;
102
103 typedef std::map<std::string, unsigned int> FormulaVisibilityCountMap_t;
104 FormulaVisibilityCountMap_t FormulaVisibilityCountMap;
105
106 typedef boost::bimap<std::string, QStandardItem*> FormulaTreeItemBiMap_t;
107 //!> map of (unique) formulas in the world
108 FormulaTreeItemBiMap_t FormulaItemBiMap;
109
110 typedef std::map<ObservedValue_Index_t, std::string> MoleculeFormulaMap_t;
111 //!> map of (unique) formulas in the world
112 MoleculeFormulaMap_t MoleculeFormulaMap;
113
114 typedef boost::bimap<ObservedValue_Index_t, QtMoleculeItem*> MoleculeItemBiMap_t;
115 MoleculeItemBiMap_t MoleculeItemBiMap;
116
117 //!> listens to all QtObservedMolecule and relays important events to us
118 QtObservedMoleculeObserver observer;
119
120 //!> flag to indicate name change cam from outside
121 bool nameIsChanged;
122};
123
124#endif /* QTMOLECULELIST_HPP_ */
Note: See TracBrowser for help on using the repository browser.