Changeset fff733

Timestamp:

Mar 1, 2011, 10:16:38 AM (14 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:

fa60dd

Parents:

e34254

git-author:

Frederik Heber <heber@…> (02/18/11 21:47:30)

git-committer:

Frederik Heber <heber@…> (03/01/11 10:16:38)

Message:

Fixed PointCloud implementation in class Tesselation.

• removed virtual keywords in class Tesselation definition.
• implemented GetMaxId().
• GetCenter() different to interface PointCloud had parameter ostream, removed.

Location:

src

Files:

• PointCloud.hpp (modified) (1 diff)
• tesselation.cpp (modified) (2 diffs)
• tesselation.hpp (modified) (1 diff)

src/PointCloud.hpp

@@ -28 +28 @@
   virtual ~PointCloud();
 
-  virtual const char * const GetName() const { return "unknown"; };
-  virtual Vector *GetCenter() const { return NULL; };
-  virtual TesselPoint *GetPoint() const { return NULL; };
-  virtual int GetMaxId() const { return 0; };
-  virtual void GoToNext() const {};
-  virtual void GoToFirst() const {};
-  virtual bool IsEmpty() const { return true; };
-  virtual bool IsEnd() const { return true; };
+  virtual const char * const GetName() const=0;
+  virtual Vector *GetCenter() const=0;
+  virtual TesselPoint *GetPoint() const=0;
+  virtual int GetMaxId() const=0;
+  virtual void GoToNext() const=0;
+  virtual void GoToFirst() const=0;
+  virtual bool IsEmpty() const=0;
+  virtual bool IsEnd() const=0;
 };
 

src/tesselation.cpp

@@ -98 +98 @@
 }
 
+const char * const Tesselation::GetName() const
+{
+  return "unknown";
+}
+
 /** PointCloud implementation of GetCenter
  * Uses PointsOnBoundary and STL stuff.
  */
-Vector * Tesselation::GetCenter(ofstream *out) const
+Vector * Tesselation::GetCenter() const
 {
   Info FunctionInfo(__func__);
@@ -124 +129 @@
 }
 ;
+
+int Tesselation::GetMaxId() const
+{
+  int max_id = 0;
+  for (PointMap::const_iterator iter = PointsOnBoundary.begin();
+      iter != PointsOnBoundary.end();
+      ++iter) {
+    if ((iter->second)->node->nr > max_id)
+      (iter->second)->node->nr = max_id;
+  }
+  return max_id;
+}
 
 /** PointCloud implementation of GoToNext.

src/tesselation.hpp

@@ -153 +153 @@
     const_iterator end() const { return PointsOnBoundary.end(); }
     // PointCloud implementation for PointsOnBoundary
-    virtual Vector *GetCenter(ofstream *out) const;
-    virtual TesselPoint *GetPoint() const;
-    virtual void GoToNext() const;
-    virtual void GoToFirst() const;
-    virtual bool IsEmpty() const;
-    virtual bool IsEnd() const;
+    const char * const GetName() const;
+    Vector *GetCenter() const;
+    TesselPoint *GetPoint() const;
+    int GetMaxId() const;
+    void GoToNext() const;
+    void GoToFirst() const;
+    bool IsEmpty() const;
+    bool IsEnd() const;
 
     class BoundaryPointSet *BPS[2];