Changeset 68abe5 for src/Filling

Timestamp:

Mar 30, 2012, 9:18:26 AM (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:

e32fa6

Parents:

f61f61

git-author:

Frederik Heber <heber@…> (02/21/12 14:27:21)

git-committer:

Frederik Heber <heber@…> (03/30/12 09:18:26)

Message:

Made Inserter::operator(), Filler::operator() return bool, used by FillRegularGridAction.

• true if at least one node is filled.
• this is preparatory for allowing Inserter to insert and not clone only.

Location:

src/Filling

Files:

• Filler.cpp (modified) (4 diffs)
• Filler.hpp (modified) (1 diff)
• Inserter/Inserter.cpp (modified) (1 diff)
• Inserter/Inserter.hpp (modified) (1 diff)
• Inserter/InserterBase.hpp (modified) (1 diff)
• Inserter/SimpleInserter.cpp (modified) (1 diff)
• Inserter/SimpleInserter.hpp (modified) (1 diff)

src/Filling/Filler.cpp

@@ -70 +70 @@
  * @param copyMethod functor that knows how to copy atoms.
  * @param cluster set of atomic ids contained in a specific Shape to fill each Node with
+ * @return true - at least one node has been filled, false - no node filled
  */
-void Filler::operator()(
+bool Filler::operator()(
     CopyAtomsInterface &copyMethod,
     ClusterInterface::Cluster_impl cluster) const
@@ -79 +80 @@
   std::for_each( nodes.begin(), nodes.end(), output << boost::lambda::_1 << " ");
   LOG(3, "DEBUG: Listing nodes to check: " << output.str());
-  if (nodes.size() == 0) {
-    ASSERT(false,
-      "Filler::operator() - Mesh contains no nodes.");
-    return;
-  }
+  if (nodes.size() == 0)
+    return false;
   NodeSet FillNodes(nodes.size(), zeroVec);
 
@@ -93 +91 @@
   if (FillNodes.size() == 0) {
     ELOG(2, "For none of the nodes did the predicate return true.");
-    return;
+    return false;
   } else {
     LOG(1, "INFO: " << FillNodes.size() << " out of " << nodes.size() << " returned true from predicate.");
@@ -105 +103 @@
       boost::bind(&Inserter::operator(), boost::cref(inserter), boost::ref(copyMethod), boost::cref(cluster), _1) );
 
+  // give statment whether at least \a cluster was placed
+  if ( FillNodes.size() != 0)
+    return true;
+  else
+    return false;
+
   // move cluster to first node
   cluster->translate(*FillNodes.begin());

src/Filling/Filler.hpp

@@ -35 +35 @@
   ~Filler();
 
-  void operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster) const;
+  bool operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster) const;
 
 private:

src/Filling/Inserter/Inserter.cpp

@@ -46 +46 @@
 {}
 
-void Inserter::operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const
+bool Inserter::operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const
 {
   return impl->operator()(copyMethod, cluster, offset);

src/Filling/Inserter/Inserter.hpp

@@ -38 +38 @@
   Inserter(impl_ptr);
   ~Inserter();
-  void operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const;
+  bool operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const;
 
 protected:

src/Filling/Inserter/InserterBase.hpp

@@ -29 +29 @@
   virtual ~InserterBase() {}
 
-  virtual void operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const = 0;
+  virtual bool operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const = 0;
 
 };

src/Filling/Inserter/SimpleInserter.cpp

@@ -41 +41 @@
  * @param copyMethod functor for copying atoms
  * @param offset
+ * @return always true
  */
-void SimpleInserter::operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const
+bool SimpleInserter::operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const
 {
-  cluster->clone(copyMethod, offset);
+  ClusterInterface::Cluster_impl newcluster(cluster->clone(copyMethod, offset));
+
+  return (newcluster != NULL);
 }

src/Filling/Inserter/SimpleInserter.hpp

@@ -26 +26 @@
   ~SimpleInserter();
 
-  void operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const;
+  bool operator()(CopyAtomsInterface &copyMethod, ClusterInterface::Cluster_impl cluster, const Vector &offset) const;
 };