source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp@ 1e1098

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 1e1098 was 4b62d3, checked in by Frederik Heber <heber@…>, 12 years ago

GLMoleculeObject_bond sets width of cylinder according to BondDegree.

  • Property mode set to 100644
File size: 1.9 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 GLMoleculeObject_bond : public GLMoleculeObject, public Observer
26{
27 Q_OBJECT
28public:
29 enum SideOfBond { left, right };
30
31 GLMoleculeObject_bond(QGLSceneNode *mesh[], QObject *parent, const bond::ptr bondref, const enum SideOfBond side);
32 virtual ~GLMoleculeObject_bond();
33
34 // Observer functions
35 void update(Observable *publisher);
36 void subjectKilled(Observable *publisher);
37 void recieveNotification(Observable *publisher, Notification_ptr notification);
38
39signals:
40 void BondRemoved(const atomId_t leftnr, const atomId_t rightnr);
41
42private:
43 /** Recalculates the position of the cylinder representing the bond.
44 *
45 */
46 void resetPosition();
47
48 /** Recalculates the width of the cylinder representing the bond's degree.
49 *
50 */
51 void resetWidth();
52
53 const bond& _bond;
54 /** Observable instance inside atom_observable for left bond partner.
55 * We require this knowledge as subjectKilled is called by Observable, not
56 * by AtomObservable which has already been destroyed at this time.
57 *
58 */
59 const Observable *leftatom;
60 /** Observable instance inside atom_observable for right bond partner.
61 * We require this knowledge as subjectKilled is called by Observable, not
62 * by AtomObservable which has already been destroyed at this time.
63 *
64 */
65 const Observable *rightatom;
66 //!> id of left bond partner for safely emitting BondRemoved sigbal
67 const atomId_t leftatomId;
68 //!> id of right bond partner for safely emitting BondRemoved sigbal
69 const atomId_t rightatomId;
70 const enum SideOfBond BondSide;
71};
72
73
74
75#endif /* GLMOLECULEOBJECT_BOND_HPP_ */
Note: See TracBrowser for help on using the repository browser.