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
Candidate_v1.7.0
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 10aee4 was d05088, checked in by Frederik Heber <heber@…>, 11 years ago |
|
FIX: Atom is notified when its father dies and resets father to itself then.
- this caused a segfault with FormatParser::save() when a copied molecule's
atoms is stored.
|
-
Property mode
set to
100644
|
|
File size:
1.3 KB
|
| Rev | Line | |
|---|
| [7188b1] | 1 | /*
|
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| 2 | * atom_observable.hpp
|
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| 3 | *
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| 4 | * Created on: Sep 1, 2011
|
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| 5 | * Author: heber
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| 6 | */
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| 7 |
|
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| 8 | #ifndef ATOM_OBSERVABLE_HPP_
|
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| 9 | #define ATOM_OBSERVABLE_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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| [02ce36] | 16 | #include "CodePatterns/Observer/Channels.hpp"
|
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| 17 | #include "CodePatterns/Observer/Observable.hpp"
|
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| [7188b1] | 18 |
|
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| 19 | #include <map>
|
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| 20 |
|
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| 21 | /** This class encapsulates Observable pattern along with required notification
|
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| 22 | * types.
|
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| 23 | */
|
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| 24 | class AtomObservable : public Observable
|
|---|
| 25 | {
|
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| 26 | public:
|
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| 27 | enum NotificationType {
|
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| 28 | PositionChanged, // position (at current step) of atom changed
|
|---|
| 29 | VelocityChanged, // velocity (at current step) of atom changed
|
|---|
| 30 | ForceChanged, // force (at current step) of atom changed
|
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| 31 | NameChanged, // name of atom changed
|
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| 32 | ElementChanged, // element changed
|
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| 33 | IndexChanged, // index (getId()) changed
|
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| 34 | PropertyChanged, // some other property changed
|
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| [2ad1ec] | 35 | BondsAdded, // new bonds have appeared on ListOfBonds
|
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| [760c4c] | 36 | BondsRemoved, // new bonds have appeared on ListOfBonds
|
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| [cd9a59] | 37 | TrajectoryChanged, // trajectory has been extended
|
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| [7188b1] | 38 | NotificationType_MAX // denotes the maximum of available notification types
|
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| 39 | };
|
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| 40 |
|
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| 41 | AtomObservable();
|
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| 42 | virtual ~AtomObservable();
|
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| [d05088] | 43 |
|
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| 44 | protected:
|
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| 45 |
|
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| 46 | virtual void subjectKilled(Observable *publisher);
|
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| [7188b1] | 47 | };
|
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| 48 |
|
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| 49 |
|
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| 50 | #endif /* ATOM_OBSERVABLE_HPP_ */
|
|---|
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