source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp@ f714763

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 f714763 was 009e2e2, checked in by Frederik Heber <heber@…>, 10 years ago

GLMoleculeObject_bond uses ObservedValue for internally representing atom's state.

  • Property mode set to 100644
File size: 3.7 KB
RevLine 
[907636]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
[2ad1ec]18#include "CodePatterns/Observer/Observer.hpp"
[009e2e2]19#include "CodePatterns/ObservedValue.hpp"
20
21#include "LinearAlgebra/Vector.hpp"
[2ad1ec]22
[88c8ec]23#include "Bond/bond.hpp"
[2ad1ec]24#include "types.hpp"
25
[70db8f]26class atom;
[907636]27
[ce4126]28class GLWorldScene;
29
[2ad1ec]30class GLMoleculeObject_bond : public GLMoleculeObject, public Observer
[907636]31{
[06ebf5]32 Q_OBJECT
[907636]33public:
[06ebf5]34 enum SideOfBond { left, right };
[907636]35
[009e2e2]36 typedef std::pair<atomId_t, atomId_t> bondIds_t;
37
38 GLMoleculeObject_bond(QGLSceneNode *mesh[], QObject *parent, const bondIds_t bondIds, const enum SideOfBond side);
[2ad1ec]39 virtual ~GLMoleculeObject_bond();
40
41 // Observer functions
42 void update(Observable *publisher);
43 void subjectKilled(Observable *publisher);
44 void recieveNotification(Observable *publisher, Notification_ptr notification);
[907636]45
[2ad1ec]46signals:
47 void BondRemoved(const atomId_t leftnr, const atomId_t rightnr);
[009e2e2]48 void elementChanged();
49 void positionChanged();
50 void degreeChanged();
[907636]51
[009e2e2]52private slots:
[8c001a]53 //!> grant GLMoleculeObject_molecule acess to reset functions
54 friend class GLMoleculeObject_molecule;
[ce4126]55
[009e2e2]56 /** Recalculates the element of the cylinder representing the bond.
57 *
58 */
59 void resetElement();
60
[4b62d3]61 /** Recalculates the position of the cylinder representing the bond.
62 *
63 */
[343a4b]64 void resetPosition();
[4b62d3]65
66 /** Recalculates the width of the cylinder representing the bond's degree.
67 *
68 */
69 void resetWidth();
70
[009e2e2]71private:
[c60665]72 /** This must be called from subjectKilled() only.
73 *
74 * We remove from all other Observables in a controlled manner.
75 * However, we assume that either bond, leftobservable, or rightobservable
76 * called subjectKilled(). Hence, we may still signOff() from all noifications
77 * but not from the calling Observable.
78 *
79 * removeLeftAtom(), removeRightAtom(), removeBond(), and removeChannels()
80 * must have been called before (or one of the subjects has been killed).
81 *
82 */
83 void removeMe();
84 void removeLeftAtom();
85 void removeRightAtom();
86 void removeChannels();
[009e2e2]87
88 Vector updateLeftPosition() const;
89 Vector updateRightPosition() const;
90 atomicNumber_t updateLeftElement() const;
91 atomicNumber_t updateRightElement() const;
92 int updateDegree() const;
93
94 static const atom * const getAtomConst(const atomId_t _id);
95 static atom * const getAtom(const atomId_t _id);
[c60665]96
97private:
[009e2e2]98 //!> id of left bond partner for safely emitting BondRemoved signal
[70db8f]99 const atomId_t leftatomId;
[009e2e2]100 //!> id of right bond partner for safely emitting BondRemoved signal
[70db8f]101 const atomId_t rightatomId;
[009e2e2]102
103 //!> temporary variable used in cstor
104 const atom * const leftatomref;
105 //!> temporary variable used in cstor
106 const atom * const rightatomref;
107 //!> temporary variable used in cstor
108 const bond &bondref;
109
[2ad1ec]110 const enum SideOfBond BondSide;
[c60665]111
[009e2e2]112 ObservedValue<Vector> leftPosition;
113 ObservedValue<Vector> rightPosition;
114 ObservedValue<atomicNumber_t> leftElement;
115 ObservedValue<atomicNumber_t> rightElement;
116 ObservedValue<int> Degree;
117
[c60665]118 //!> indicate whether we are signed in to leftobservable
119 bool leftobservable_enabled;
120 //!> indicate whether we are signed in to rightobservable
121 bool rightobservable_enabled;
[009e2e2]122 //!> indicate whether we are signed in to bond itself
[c60665]123 bool bond_enabled;
[009e2e2]124
125 //!> list of channels when position needs to update
126 static const Observable::channels_t BondPositionChannels;
127 //!>list of channels when degree needs to update
128 static const Observable::channels_t BondDegreeChannels;
129 //!> list of channels when element needs to update
130 static const Observable::channels_t BondElementChannels;
[907636]131};
132
133
134
135#endif /* GLMOLECULEOBJECT_BOND_HPP_ */
Note: See TracBrowser for help on using the repository browser.