Changeset 38f991 for src/Parser

Timestamp:

Oct 10, 2011, 2:25:37 PM (13 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:

6bc86c

Parents:

ab4a33

git-author:

Frederik Heber <heber@…> (09/05/11 17:23:16)

git-committer:

Frederik Heber <heber@…> (10/10/11 14:25:37)

Message:

FormatParser now listens to World::AtomRemoved and ::AtomInserted notifications.

• World now has const iterators for selectedAtoms and selectedMolecules.
• FIX: RemoveAction was broken in usage of beginSelectedAtoms() for removing them! This is fixed. Same for FragmentAction() where non-const iterator had been used for fragmenting.
• The above was caused by the following (we would stumble over receiveNotifications() going into void):
• new virtual functions AtomRemoved() and AtomInserted() which the specific parsers overwrite, e.g. to remove additional information when the associated atom is removed.

Location:

src/Parser

Files:

• FormatParser.cpp (modified) (3 diffs)
• FormatParser.hpp (modified) (1 diff)

src/Parser/FormatParser.cpp

@@ -33 +33 @@
 {
   ChangeTracker::getInstance().signOn(this);
+  World::getInstance().signOn(this, World::getInstance().getChannel(World::AtomInserted));
+  World::getInstance().signOn(this, World::getInstance().getChannel(World::AtomRemoved));
 }
 
@@ -40 +42 @@
 FormatParser::~FormatParser() {
   ChangeTracker::getInstance().signOff(this);
+  World::getInstance().signOff(this, World::getInstance().getChannel(World::AtomInserted));
+  World::getInstance().signOff(this, World::getInstance().getChannel(World::AtomRemoved));
 }
 
@@ -57 +61 @@
 
 /**
+ * With this, each format parser is informed about specific changes in the World.
+ */
+void FormatParser::recieveNotification(Observable *publisher, Notification_ptr notification) {
+  switch (notification->getChannelNo()) {
+    case World::AtomInserted:
+      AtomInserted(World::getInstance().lastChanged<atom>()->getId());
+      break;
+    case World::AtomRemoved:
+      AtomRemoved(World::getInstance().lastChanged<atom>()->getId());
+      break;
+    default:
+      ASSERT(0,
+          "FormatParser::recieveNotification() - unknown notification "
+          +toString(notification->getChannelNo())+" received.");
+      break;
+  }
+}
+
+/**
  * The observable can tell when it dies.
  */

src/Parser/FormatParser.hpp

@@ -31 +31 @@
   virtual void load(std::istream* file)=0;
   void setOstream(std::ostream* file);
+
+protected:
   void update(Observable *publisher);
+  void recieveNotification(Observable *publisher, Notification_ptr notification);
   void subjectKilled(Observable *publisher);
+
+  // these functions are called when atoms are inserted or removed
+  virtual void AtomInserted(atomId_t) {};
+  virtual void AtomRemoved(atomId_t) {};
 
 private: