Changeset 5d8f4f

Timestamp:

Feb 11, 2016, 8:06:49 AM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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

Children:

d4ba3f

Parents:

4a328f

git-author:

Frederik Heber <heber@…> (12/28/15 15:10:47)

git-committer:

Frederik Heber <heber@…> (02/11/16 08:06:49)

Message:

Added MoleculeObserver as pendant to AtomObserver for molecules.

Location:

src

Files:

• Atom/AtomObserver.hpp (modified) (1 diff)
• Makefile.am (modified) (2 diffs)
• MoleculeObserver.cpp (added)
• MoleculeObserver.hpp (added)
• cleanUp.cpp (modified) (2 diffs)
• molecule.cpp (modified) (3 diffs)

src/Atom/AtomObserver.hpp

@@ -29 +29 @@
  * the AtomObserver instance is still intact or segfault will occur.
  *
+ * \sa MoleculeObserver
  */
 class AtomObserver : public Singleton<AtomObserver>, public Relay

src/Makefile.am

@@ -150 +150 @@
   Formula.cpp \
   MoleculeLeafClass.cpp \
+  MoleculeObserver.cpp \
   moleculelist.cpp \
   molecule.cpp \
@@ -176 +177 @@
   MoleculeLeafClass.hpp \
   MoleculeListClass.hpp \
+  MoleculeObserver.hpp \
   molecule.hpp \
   types.hpp \

src/cleanUp.cpp

@@ -53 +53 @@
 
 #include "Fragmentation/Summation/Containers/FragmentationResultContainer.hpp"
+
+#include "MoleculeObserver.hpp"
 
 #include "Potentials/PotentialFactory.hpp"
@@ -112 +114 @@
   World::purgeInstance();
   AtomObserver::purgeInstance();
+  MoleculeObserver::purgeInstance();
   MenuDescription::purgeInstance();
   UIFactory::purgeInstance();

src/molecule.cpp

@@ -63 +63 @@
 #include "LinearAlgebra/Vector.hpp"
 #include "LinkedCell/linkedcell.hpp"
+#include "MoleculeObserver.hpp"
 #include "IdPool_impl.hpp"
 #include "Shapes/BaseShapes.hpp"
@@ -115 +116 @@
 
   strcpy(name,World::getInstance().getDefaultName().c_str());
+
+  // inform MoleculeObserver about new molecule
+  MoleculeObserver::getInstance().MoleculeInserted(this);
 }
 
@@ -132 +136 @@
   }
   CleanupMolecule();
+
+  // inform MoleculeObserver about removed molecule
+  MoleculeObserver::getInstance().MoleculeRemoved(this);
 };