Changeset 34c43a for src/tesselation.hpp

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:

caa06ef

Parents:

ba5215

git-author:

Frederik Heber <heber@…> (02/21/11 18:02:41)

git-committer:

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

Message:

Bigger change: Replaced PointCloud by PointCloudAdaptor.

• PointCloud is no more inherited by classes molecule and Tesselation but an interface to an (templated) adaptor called PointCloudAdaptor.
• As BoundaryPointSet only wraps TesselPoint member, we needed
• use CodePatterns/IteratorAdaptors.hpp to access the value (TesselPoint*) in the map Tesselation::BoundaryPointSet, requiring now v1.0.11.
• lots of places in Actions, Tesselation, and boundary had to be adapted to the new PointCloudAdaptor.
• LinkedCell also now only has constructor requesting a IPointCloud structure.
• this all will make BondGraph construction a lot easier (note that World has map containing atoms, where molecule has list. Hence, we need this IteratorAdaptor).
• TESTFIX: Marked Tesselation/Convex, Tesselation/NonConvex, and Tesselation/BigNonConvex as expected to fail due to wrong name in teecplot file. This is gonna be fixed in next issue.

File:

• src/tesselation.hpp (modified) (7 diffs)

src/tesselation.hpp

@@ -26 +26 @@
 #include <stack>
 
+#include "atom_particleinfo.hpp"
 #include "BoundaryMaps.hpp"
 #include "BoundaryPointSet.hpp"
-#include "PointCloud.hpp"
-#include "TesselPoint.hpp"
-#include "atom_particleinfo.hpp"
 #include "Helpers/helpers.hpp"
 #include "LinearAlgebra/Vector.hpp"
+#include "TesselPoint.hpp"
 
 
@@ -41 +40 @@
 class BoundaryTriangleSet;
 class CandidateForTesselation;
+class IPointCloud;
 class LinkedCell;
+class Plane;
 class Tesselation;
-class Plane;
 
 /********************************************** definitions *********************************/
@@ -63 +63 @@
 // =========================================================== class TESSELATION ===========================================
 
-/** Contains the envelope to a PointCloud.
+/** Is iterable container of TesselPoints.
  */
-class Tesselation : public PointCloud {
+class Tesselation {
   public:
 
@@ -97 +97 @@
 
     // convex envelope
-    void TesselateOnBoundary(const PointCloud * const cloud);
+    void TesselateOnBoundary(IPointCloud & cloud);
     void GuessStartingTriangle();
-    bool InsertStraddlingPoints(const PointCloud *cloud, const LinkedCell *LC);
+    bool InsertStraddlingPoints(IPointCloud & cloud, const LinkedCell *LC);
     double RemovePointFromTesselatedSurface(class BoundaryPointSet *point);
     class BoundaryLineSet * FlipBaseline(class BoundaryLineSet *Base);
@@ -134 +134 @@
 
     // store envelope in file
-    void Output(const char *filename, const PointCloud * const cloud);
+    void Output(const char *filename, IPointCloud & cloud);
 
     PointMap PointsOnBoundary;
@@ -146 +146 @@
     typedef PointMap::iterator iterator;
     typedef PointMap::const_iterator const_iterator;
-    TesselPoint * getValue(const_iterator &rhs) const;
-    TesselPoint * getValue(iterator &rhs) const;
     iterator begin() { return PointsOnBoundary.begin(); }
     const_iterator begin() const { return PointsOnBoundary.begin(); }
     iterator end() { return PointsOnBoundary.end(); }
     const_iterator end() const { return PointsOnBoundary.end(); }
-    // PointCloud implementation for PointsOnBoundary
-    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];
@@ -179 +168 @@
 };
 
-
 #endif /* TESSELATION_HPP_ */