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 273c8a was 96f14a, checked in by Frederik Heber <heber@…>, 9 years ago |
Modified all GLMoleculeObjects and GLWorldScene to the new QtObservedBond.
- GLWorldScene transmits bondInserted/bondRemoved similarly to those for the
atoms to the molecule if aLready present and otherwise into the
MissedStateMap.
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-
Property mode
set to
100644
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File size:
1.6 KB
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1 | /*
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2 | * GLMoleculeObject_bond.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_BOND_HPP_
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9 | #define GLMOLECULEOBJECT_BOND_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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18 | #include <vector>
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19 | #include <boost/any.hpp>
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20 | #include <boost/function.hpp>
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21 |
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22 | #include "LinearAlgebra/Vector.hpp"
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23 |
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24 | #include "types.hpp"
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25 |
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26 | #include "UIElements/Qt4/InstanceBoard/QtObservedBond.hpp"
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27 |
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28 | class atom;
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29 |
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30 | class GLWorldScene;
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31 |
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32 | class GLMoleculeObject_bond : public GLMoleculeObject
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33 | {
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34 | Q_OBJECT
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35 | public:
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36 | enum SideOfBond { left, right };
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37 |
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38 | typedef std::pair<atomId_t, atomId_t> bondIds_t;
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39 |
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40 | GLMoleculeObject_bond(
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41 | QGLSceneNode *mesh[],
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42 | QObject *parent,
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43 | QtObservedBond::ptr &_ObservedBond,
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44 | const enum SideOfBond side);
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45 | virtual ~GLMoleculeObject_bond();
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46 |
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47 | signals:
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48 | void BondRemoved(const atomId_t leftnr, const atomId_t rightnr);
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49 |
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50 | private slots:
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51 | //!> grant GLMoleculeObject_molecule acess to reset functions
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52 | friend class GLMoleculeObject_molecule;
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53 |
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54 | /** Recalculates the element of the cylinder representing the bond.
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55 | *
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56 | */
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57 | void resetElement();
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58 |
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59 | /** Recalculates the position of the cylinder representing the bond.
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60 | *
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61 | */
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62 | void resetPosition();
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63 |
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64 | /** Recalculates the width of the cylinder representing the bond's degree.
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65 | *
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66 | */
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67 | void resetWidth();
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68 |
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69 | private:
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70 | //!> which part of half the bond this object represents
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71 | const enum SideOfBond BondSide;
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72 | //!> state of the bond this object visually represents
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73 | const QtObservedBond::ptr ObservedBond;
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74 | };
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75 |
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76 |
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77 |
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78 | #endif /* GLMOLECULEOBJECT_BOND_HPP_ */
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