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
Candidate_v1.7.0
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 c68409 was 2ad1ec, checked in by Frederik Heber <heber@…>, 14 years ago |
|
Rewrite of how GLWorldScene and subsidiaries get notified of changed bonds and atoms.
- we have made the connections from the real atoms and bonds to the nodes
within GLWorldScene a lot easier. Also this fixes a crash when Subgraph-
Dissection is called.
- renamed BondedParticle::BondsChanged -> ::BondsAdded.
- GLMoleculeObject_bond now observes its associated bond.
- added documentation on how the mechanism works in qt-gui.dox.
|
-
Property mode
set to
100644
|
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File size:
1.1 KB
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| Rev | Line | |
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| [907636] | 1 | /*
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| 2 | * GLMoleculeObject_atom.hpp
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| 3 | *
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| 4 | * Created on: Aug 17, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef GLMOLECULEOBJECT_ATOM_HPP_
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| 9 | #define GLMOLECULEOBJECT_ATOM_HPP_
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| 10 |
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| 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 | #include "GLMoleculeObject.hpp"
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| 17 |
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| [02ce36] | 18 | #include "CodePatterns/Observer/Observer.hpp"
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| [7188b1] | 19 |
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| [2ad1ec] | 20 | #include "GLMoleculeObject_bond.hpp"
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| 21 |
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| 22 | class atom;
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| 23 | class bond;
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| [907636] | 24 |
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| [7188b1] | 25 | class GLMoleculeObject_atom : public GLMoleculeObject, public Observer
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| [907636] | 26 | {
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| [06ebf5] | 27 | Q_OBJECT
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| [907636] | 28 | public:
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| [06ebf5] | 29 | GLMoleculeObject_atom(QObject *parent, const atom *atomref);
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| [9c18e4] | 30 | virtual ~GLMoleculeObject_atom();
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| [7188b1] | 31 |
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| 32 | // Observer functions
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| 33 | void update(Observable *publisher);
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| 34 | void subjectKilled(Observable *publisher);
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| 35 | void recieveNotification(Observable *publisher, Notification_ptr notification);
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| [06ebf5] | 36 |
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| 37 | private slots:
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| 38 | void wasClicked();
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| 39 |
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| 40 | signals:
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| 41 | void clicked(atomId_t);
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| [2ad1ec] | 42 | void BondsInserted(const bond *_bond, const GLMoleculeObject_bond::SideOfBond side);
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| [907636] | 43 |
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| 44 | private:
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| [7188b1] | 45 | void resetPosition();
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| 46 | void resetElement();
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| 47 | void resetIndex();
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| 48 | void resetProperties();
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| 49 |
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| [06ebf5] | 50 | const atom *_atom;
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| [907636] | 51 | };
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| 52 |
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| 53 |
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| 54 |
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| 55 | #endif /* GLMOLECULEOBJECT_ATOM_HPP_ */
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