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 b4bd0e was 35ab62, checked in by Frederik Heber <heber@…>, 9 years ago |
Half of the bonds are showing up again.
- but the other half is missing because then one of the QtObservedAtoms is not
present yet?
|
-
Property mode
set to
100644
|
File size:
1.5 KB
|
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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[7c7c4a] | 18 | #include <vector>
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| 19 | #include <boost/any.hpp>
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| 20 |
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[534374] | 21 | #include "CodePatterns/ObservedValue.hpp"
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[7188b1] | 22 |
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[917659] | 23 | #include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp"
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[65c323] | 24 | #include "UIElements/Qt4/InstanceBoard/QtObservedAtom.hpp"
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[917659] | 25 | #include "types.hpp"
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[907636] | 26 |
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[ce4126] | 27 | class GLWorldScene;
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[2f7988] | 28 | class QtObservedInstanceBoard;
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[ce4126] | 29 |
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[65c323] | 30 | class GLMoleculeObject_atom : public GLMoleculeObject
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[907636] | 31 | {
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[06ebf5] | 32 | Q_OBJECT
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[907636] | 33 | public:
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[026bef] | 34 | GLMoleculeObject_atom(
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| 35 | QGLSceneNode *mesh[],
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| 36 | QObject *parent,
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[1b07b1] | 37 | QtObservedAtom::ptr &_ObservedAtom
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[026bef] | 38 | );
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[9c18e4] | 39 | virtual ~GLMoleculeObject_atom();
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[7188b1] | 40 |
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[f115cc] | 41 | void draw(QGLPainter *painter, const QVector4D &cameraPlane);
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| 42 |
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[35ab62] | 43 | void resetBonds();
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| 44 |
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[06ebf5] | 45 | private slots:
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| 46 | void wasClicked();
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[1c0961] | 47 | void resetIndex(const atomId_t, const atomId_t);
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[534374] | 48 | void resetElement();
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| 49 | void resetPosition();
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[5cd3a33] | 50 | void resetSelected();
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[06ebf5] | 51 |
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| 52 | signals:
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| 53 | void clicked(atomId_t);
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[534374] | 54 | void BondsAdded(const atomId_t _left, const atomId_t _right, const GLMoleculeObject_bond::SideOfBond side);
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| 55 | void BondsRemoved(const atomId_t _left, const atomId_t _right);
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[494478] | 56 | void indexChanged(GLMoleculeObject_atom*, const atomId_t _oldid, const atomId_t _newid);
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[907636] | 57 |
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[ce4126] | 58 | private:
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[026bef] | 59 | void init(const atomId_t _id);
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| 60 |
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[534374] | 61 | private:
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| 62 | //!> current list of bonds to compare new onw against for changes
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[65c323] | 63 | QtObservedAtom::ListOfBonds_t ListOfBonds;
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[8d5fbf1] | 64 |
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[65c323] | 65 | QtObservedAtom::ptr ObservedAtom;
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[907636] | 66 | };
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| 67 |
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| 68 |
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| 69 |
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| 70 | #endif /* GLMOLECULEOBJECT_ATOM_HPP_ */
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