source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp@ 1b6cec

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 1b6cec was ce4126, checked in by Frederik Heber <heber@…>, 10 years ago

FIX: Added update mechanism to GLWorldScene when WorldTime changes.

  • bonds were not updated when WorldTime changed, atoms only change because each was subscribed to WorldTime.
  • Now, just GLWorldView is subscribed to WorldTime::TimeChanged, emitting TimeChanged and activating GLWorldScene::updated() signal.
  • GLWorldScene has access to private reset..() functions of GLMoleculeObject_atom and GLMoleculeObject_bond.
  • added GLWorldScene::update(), enhancing (also modified) ::init() function. It does not use molecules anymore, but directly the World's atoms. These are iterated over, checked whether already present and updated or added. Similarly with bonds. update() is activated on signal updated().
  • Property mode set to 100644
File size: 2.9 KB
Line 
1/*
2 * GLMoleculeObject_bond.hpp
3 *
4 * Created on: Aug 17, 2011
5 * Author: heber
6 */
7
8#ifndef GLMOLECULEOBJECT_BOND_HPP_
9#define GLMOLECULEOBJECT_BOND_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include "GLMoleculeObject.hpp"
17
18#include "CodePatterns/Observer/Observer.hpp"
19
20#include "Bond/bond.hpp"
21#include "types.hpp"
22
23class atom;
24
25class GLWorldScene;
26
27class GLMoleculeObject_bond : public GLMoleculeObject, public Observer
28{
29 Q_OBJECT
30public:
31 enum SideOfBond { left, right };
32
33 GLMoleculeObject_bond(QGLSceneNode *mesh[], QObject *parent, const bond::ptr bondref, const enum SideOfBond side);
34 virtual ~GLMoleculeObject_bond();
35
36 // Observer functions
37 void update(Observable *publisher);
38 void subjectKilled(Observable *publisher);
39 void recieveNotification(Observable *publisher, Notification_ptr notification);
40
41signals:
42 void BondRemoved(const atomId_t leftnr, const atomId_t rightnr);
43
44private:
45 //!> grant WorldScene access to reset functions
46 friend class GLWorldScene;
47
48 /** Recalculates the position of the cylinder representing the bond.
49 *
50 */
51 void resetPosition();
52
53 /** Recalculates the width of the cylinder representing the bond's degree.
54 *
55 */
56 void resetWidth();
57
58 /** This must be called from subjectKilled() only.
59 *
60 * We remove from all other Observables in a controlled manner.
61 * However, we assume that either bond, leftobservable, or rightobservable
62 * called subjectKilled(). Hence, we may still signOff() from all noifications
63 * but not from the calling Observable.
64 *
65 * removeLeftAtom(), removeRightAtom(), removeBond(), and removeChannels()
66 * must have been called before (or one of the subjects has been killed).
67 *
68 */
69 void removeMe();
70 void removeLeftAtom();
71 void removeRightAtom();
72 void removeChannels();
73 void removeBond();
74
75private:
76 const bond& _bond;
77 /** Observable instance inside atom_observable for left bond partner.
78 * We require this knowledge as subjectKilled is called by Observable, not
79 * by AtomObservable which has already been destroyed at this time.
80 *
81 */
82 const Observable *leftobservable;
83 /** Observable instance inside atom_observable for right bond partner.
84 * We require this knowledge as subjectKilled is called by Observable, not
85 * by AtomObservable which has already been destroyed at this time.
86 *
87 */
88 const Observable *rightobservable;
89 //!> id of left bond partner for safely emitting BondRemoved sigbal
90 const atomId_t leftatomId;
91 //!> id of right bond partner for safely emitting BondRemoved sigbal
92 const atomId_t rightatomId;
93 const enum SideOfBond BondSide;
94
95 //!> indicate whether we are signed in to leftobservable
96 bool leftobservable_enabled;
97 //!> indicate whether we are signed in to rightobservable
98 bool rightobservable_enabled;
99 //!> indicate whether we are signed in to _bond
100 bool bond_enabled;
101};
102
103
104
105#endif /* GLMOLECULEOBJECT_BOND_HPP_ */
Note: See TracBrowser for help on using the repository browser.