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 26cf17 was 26cf17, checked in by Frederik Heber <heber@…>, 14 years ago |
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Added Formula WidgetItem to QTWorldView.
- int are converted to QString by QString::number()
- new entry FORMULA in QTWorldView::COLUMNTYPES and added in constructor out of molecule::formula.
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-
Property mode
set to
100644
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File size:
978 bytes
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| 1 | /*
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| 2 | * QTWorldView.hpp
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| 3 | *
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| 4 | * Created on: Jan 21, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef QTMOLECULESVIEW_HPP_
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| 9 | #define QTMOLECULESVIEW_HPP_
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| 10 |
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| 11 | #include <QtGui/QTableWidget>
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| 12 | #include "Patterns/Observer.hpp"
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| 13 |
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| 14 | class molecule;
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| 15 | class MoleculeListClass;
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| 16 |
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| 17 | class QTWorldView : public QTableWidget, public Observer
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| 18 | {
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| 19 | Q_OBJECT
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| 20 |
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| 21 | public:
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| 22 | QTWorldView(QWidget * _parent=0);
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| 23 | virtual ~QTWorldView();
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| 24 |
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| 25 | protected:
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| 26 | virtual void update(Observable *publisher);
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| 27 | virtual void subjectKilled(Observable *publisher);
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| 28 |
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| 29 | static const int COLUMNCOUNT;
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| 30 | enum {NAME,ATOMS,FORMULA,COLUMNTYPES_MAX} COLUMNTYPES;
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| 31 | static const char *COLUMNNAMES[];
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| 32 |
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| 33 | private slots:
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| 34 | void moleculeChanged(int row, int column);
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| 35 |
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| 36 | void cellSelected(int row, int column);
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| 37 |
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| 38 | signals:
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| 39 | void moleculeSelected(molecule*);
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| 40 | void moleculeUnSelected(molecule*);
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| 41 |
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| 42 | private:
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| 43 | std::vector<bool> molSelection; //!< needed to determine when a selection changes
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| 44 | MoleculeListClass *molecules;
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| 45 | };
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| 46 |
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| 47 | #endif /* QTMOLECULESVIEW_HPP_ */
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