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 f99714 was 56f73b, checked in by Frederik Heber <heber@…>, 14 years ago |
Added config.h also to all header files, code check test ascertain this in the future.
- as we want to use config.h to pass stuff such as MEMDEBUG, NDEBUG,
LOG_OBSERVER, we have to make sure that it is present in each and every
file.
- split up CodeChecks/testsuite.at: each test has its own .at file.
|
-
Property mode
set to
100644
|
File size:
1.7 KB
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Rev | Line | |
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[b47bfc] | 1 | /*
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| 2 | * MoleculeView.hpp
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| 3 | *
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| 4 | * Created on: Mar 4, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef MOLECULEVIEW_HPP_
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| 9 | #define MOLECULEVIEW_HPP_
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| 10 |
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[56f73b] | 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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[b47bfc] | 17 | #include <string>
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| 18 | #include <QtGui/QTabWidget>
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[ad011c] | 19 | #include "CodePatterns/Observer.hpp"
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[b47bfc] | 20 |
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| 21 | class molecule;
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| 22 |
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| 23 | // Forwarding of the Tab-Pages
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| 24 | class QTAllMoleculePage;
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| 25 | class QTMoleculePage;
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| 26 |
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[4cf323d] | 27 | class QtMoleculeView : public QTabWidget
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[b47bfc] | 28 | {
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| 29 | Q_OBJECT
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| 30 | public:
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[4cf323d] | 31 | QtMoleculeView();
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| 32 | virtual ~QtMoleculeView();
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[b47bfc] | 33 |
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| 34 | public slots:
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| 35 | void moleculeSelected(molecule *);
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| 36 | void moleculeUnSelected(molecule *);
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| 37 |
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| 38 | void nameChanged(QTMoleculePage *page, std::string name);
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| 39 |
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| 40 | signals:
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| 41 | void addMolecule(molecule *);
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| 42 | void removeMolecule(molecule *);
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| 43 |
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| 44 |
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| 45 | private:
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| 46 | QTAllMoleculePage *allPage; //!< contained widget to cary information of all selected molecules
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| 47 | std::map<molecule*,QTMoleculePage *> pages;//!< contained widget to cary information on a specific molecule
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| 48 | };
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| 49 |
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| 50 | /**
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| 51 | * Widget to display the tab page for all selected molecules
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| 52 | */
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| 53 | class QTAllMoleculePage : public QWidget, public Observer {
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| 54 | Q_OBJECT
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| 55 | public:
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| 56 | QTAllMoleculePage();
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| 57 | void update(Observable *subject);
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| 58 | void subjectKilled(Observable *subject);
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| 59 | public slots:
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| 60 | void addMolecule(molecule *mol);
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| 61 | void removeMolecule(molecule *mol);
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| 62 | };
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| 63 |
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| 64 | /**
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| 65 | * Widget to display the tab page for a single molecule
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| 66 | */
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| 67 | class QTMoleculePage : public QWidget, public Observer {
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| 68 | Q_OBJECT
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| 69 | public:
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| 70 | QTMoleculePage(molecule *_mol,std::string _name);
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| 71 | virtual ~QTMoleculePage();
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| 72 |
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| 73 | void update(Observable *subject);
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| 74 | void subjectKilled(Observable *subject);
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| 75 |
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| 76 | signals:
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| 77 | void nameChanged(QTMoleculePage*,std::string);
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| 78 |
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| 79 | private:
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| 80 | molecule *mol;
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| 81 | std::string name;
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| 82 | };
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| 83 | #endif /* MOLECULEVIEW_HPP_ */
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