Changeset 6bd7e0 for src/Tesselation/tesselation.cpp

Timestamp:

Jan 2, 2012, 1:34:28 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:

d78531

Parents:

f55ae5

git-author:

Frederik Heber <heber@…> (12/19/11 16:46:11)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:34:28)

Message:

Renamed old LinkedCell class to LinkedCell_deprecated.

• this is preparatory for a smooth transition to the new implementation.
• note that class LinkedCell and namespace LinkedCell bite each other so far.

File:

• src/Tesselation/tesselation.cpp (modified) (20 diffs)

src/Tesselation/tesselation.cpp

@@ -415 +415 @@
  * \param *out output stream for debugging
  * \param *cloud cluster of points
- * \param *LC LinkedCell structure to find nearest point quickly
+ * \param *LC LinkedCell_deprecated structure to find nearest point quickly
  * \return true - all straddling points insert, false - something went wrong
  */
-bool Tesselation::InsertStraddlingPoints(IPointCloud & cloud, const LinkedCell *LC)
+bool Tesselation::InsertStraddlingPoints(IPointCloud & cloud, const LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);
@@ -426 +426 @@
   TriangleList *triangles = NULL;
   bool AddFlag = false;
-  LinkedCell *BoundaryPoints = NULL;
+  LinkedCell_deprecated *BoundaryPoints = NULL;
   bool SuccessFlag = true;
 
   cloud.GoToFirst();
   PointCloudAdaptor< Tesselation, MapValueIterator<Tesselation::iterator> > newcloud(this, cloud.GetName());
-  BoundaryPoints = new LinkedCell(newcloud, 5.);
+  BoundaryPoints = new LinkedCell_deprecated(newcloud, 5.);
   while (!cloud.IsEnd()) { // we only have to go once through all points, as boundary can become only bigger
     if (AddFlag) {
       delete (BoundaryPoints);
-      BoundaryPoints = new LinkedCell(newcloud, 5.);
+      BoundaryPoints = new LinkedCell_deprecated(newcloud, 5.);
       AddFlag = false;
     }
@@ -846 +846 @@
  * \param &CandidateLine contains other degenerated candidates which we have to subtract as well
  * \param RADIUS radius of sphere
- * \param *LC LinkedCell structure with other atoms
+ * \param *LC LinkedCell_deprecated structure with other atoms
  * \return true - candidate triangle is degenerated, false - candidate triangle is not degenerated
  */
-bool Tesselation::CheckDegeneracy(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell *LC) const
+bool Tesselation::CheckDegeneracy(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell_deprecated *LC) const
 {
   Info FunctionInfo(__func__);
@@ -997 +997 @@
  * \param *out output stream for debugging
  * \param RADIUS radius of virtual rolling sphere
- * \param *LC LinkedCell structure with neighbouring TesselPoint's
+ * \param *LC LinkedCell_deprecated structure with neighbouring TesselPoint's
  * \return true - a starting triangle has been created, false - no valid triple of points found
  */
-bool Tesselation::FindStartingTriangle(const double RADIUS, const LinkedCell *LC)
+bool Tesselation::FindStartingTriangle(const double RADIUS, const LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);
@@ -1130 +1130 @@
  * \param *ThirdNode third point in triangle, not in BoundaryLineSet::endpoints
  * \param RADIUS radius of sphere
- * \param *LC LinkedCell structure
+ * \param *LC LinkedCell_deprecated structure
  * \return true - there is a better candidate (smaller angle than \a ShortestAngle), false - no better TesselPoint candidate found
  */
-//bool Tesselation::HasOtherBaselineBetterCandidate(CandidateForTesselation &CandidateLine, const TesselPoint * const ThirdNode, double RADIUS, const LinkedCell * const LC) const
+//bool Tesselation::HasOtherBaselineBetterCandidate(CandidateForTesselation &CandidateLine, const TesselPoint * const ThirdNode, double RADIUS, const LinkedCell_deprecated * const LC) const
 //{
 //      Info FunctionInfo(__func__);
@@ -1270 +1270 @@
  * @param RADIUS radius of the rolling ball
  * @param N number of found triangles
- * @param *LC LinkedCell structure with neighbouring points
- */
-bool Tesselation::FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, const BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC)
+ * @param *LC LinkedCell_deprecated structure with neighbouring points
+ */
+bool Tesselation::FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, const BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);
@@ -1345 +1345 @@
 
 /** Walks through Tesselation::OpenLines() and finds candidates for newly created ones.
- * \param *&LCList atoms in LinkedCell list
+ * \param *&LCList atoms in LinkedCell_deprecated list
  * \param RADIUS radius of the virtual sphere
  * \return true - for all open lines without candidates so far, a candidate has been found,
  *         false - at least one open line without candidate still
  */
-bool Tesselation::FindCandidatesforOpenLines(const double RADIUS, const LinkedCell *&LCList)
+bool Tesselation::FindCandidatesforOpenLines(const double RADIUS, const LinkedCell_deprecated *&LCList)
 {
   bool TesselationFailFlag = true;
@@ -1372 +1372 @@
  * \param CandidateLine triangle to add
  * \param RADIUS Radius of sphere
- * \param *LC LinkedCell structure
+ * \param *LC LinkedCell_deprecated structure
  * \NOTE we need the copy operator here as the original CandidateForTesselation is removed in
  * AddTesselationLine() in AddCandidateTriangle()
  */
-void Tesselation::AddCandidatePolygon(CandidateForTesselation CandidateLine, const double RADIUS, const LinkedCell *LC)
+void Tesselation::AddCandidatePolygon(CandidateForTesselation CandidateLine, const double RADIUS, const LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);
@@ -1468 +1468 @@
  * \param CandidateLine CanddiateForTesselation structure for the desired BoundaryLine
  * \param RADIUS radius of sphere
- * \param *LC pointer to LinkedCell structure
- */
-void Tesselation::AddDegeneratedTriangle(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell *LC)
+ * \param *LC pointer to LinkedCell_deprecated structure
+ */
+void Tesselation::AddDegeneratedTriangle(CandidateForTesselation &CandidateLine, const double RADIUS, const LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);
@@ -1876 +1876 @@
  * \param Storage[3] array storing angles and other candidate information
  * \param RADIUS radius of virtual sphere
- * \param *LC LinkedCell structure with neighbouring points
- */
-void Tesselation::FindSecondPointForTesselation(TesselPoint* a, Vector Oben, TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell *LC)
+ * \param *LC LinkedCell_deprecated structure with neighbouring points
+ */
+void Tesselation::FindSecondPointForTesselation(TesselPoint* a, Vector Oben, TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);
@@ -1984 +1984 @@
  * @param ThirdPoint third point to avoid in search
  * @param RADIUS radius of sphere
- * @param *LC LinkedCell structure with neighbouring points
- */
-void Tesselation::FindThirdPointForTesselation(const Vector &NormalVector, const Vector &SearchDirection, const Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class BoundaryPointSet * const ThirdPoint, const double RADIUS, const LinkedCell *LC) const
+ * @param *LC LinkedCell_deprecated structure with neighbouring points
+ */
+void Tesselation::FindThirdPointForTesselation(const Vector &NormalVector, const Vector &SearchDirection, const Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class BoundaryPointSet * const ThirdPoint, const double RADIUS, const LinkedCell_deprecated *LC) const
 {
   Info FunctionInfo(__func__);
@@ -2219 +2219 @@
  * \return map of BoundaryPointSet of closest points sorted by squared distance or NULL.
  */
-DistanceToPointMap * Tesselation::FindClosestBoundaryPointsToVector(const Vector &x, const LinkedCell* LC) const
+DistanceToPointMap * Tesselation::FindClosestBoundaryPointsToVector(const Vector &x, const LinkedCell_deprecated* LC) const
 {
   Info FunctionInfo(__func__);
@@ -2270 +2270 @@
  * \return closest BoundaryLineSet or NULL in degenerate case.
  */
-BoundaryLineSet * Tesselation::FindClosestBoundaryLineToVector(const Vector &x, const LinkedCell* LC) const
+BoundaryLineSet * Tesselation::FindClosestBoundaryLineToVector(const Vector &x, const LinkedCell_deprecated* LC) const
 {
   Info FunctionInfo(__func__);
@@ -2330 +2330 @@
  * \return BoundaryTriangleSet of nearest triangle or NULL.
  */
-TriangleList * Tesselation::FindClosestTrianglesToVector(const Vector &x, const LinkedCell* LC) const
+TriangleList * Tesselation::FindClosestTrianglesToVector(const Vector &x, const LinkedCell_deprecated* LC) const
 {
   Info FunctionInfo(__func__);
@@ -2417 +2417 @@
  * \return list of BoundaryTriangleSet of nearest triangles or NULL.
  */
-class BoundaryTriangleSet * Tesselation::FindClosestTriangleToVector(const Vector &x, const LinkedCell* LC) const
+class BoundaryTriangleSet * Tesselation::FindClosestTriangleToVector(const Vector &x, const LinkedCell_deprecated* LC) const
 {
   Info FunctionInfo(__func__);
@@ -2452 +2452 @@
  * Basically calls Tesselation::GetDistanceToSurface() and checks the sign of the return value.
  * @param point of which to check the position
- * @param *LC LinkedCell structure
+ * @param *LC LinkedCell_deprecated structure
  *
  * @return true if the point is inside the Tesselation structure, false otherwise
  */
-bool Tesselation::IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const
+bool Tesselation::IsInnerPoint(const Vector &Point, const LinkedCell_deprecated* const LC) const
 {
   Info FunctionInfo(__func__);
@@ -2479 +2479 @@
  *
  * @param point of which to check the position
- * @param *LC LinkedCell structure
+ * @param *LC LinkedCell_deprecated structure
  *
  * @return >0 if outside, ==0 if on surface, <0 if inside
@@ -2540 +2540 @@
  * \return distance squared to closest point on surface
  */
-double Tesselation::GetDistanceToSurface(const Vector &Point, const LinkedCell* const LC) const
+double Tesselation::GetDistanceToSurface(const Vector &Point, const LinkedCell_deprecated* const LC) const
 {
   Info FunctionInfo(__func__);
@@ -2555 +2555 @@
  * \return distance squared to closest point on surface
  */
-BoundaryTriangleSet * Tesselation::GetClosestTriangleOnSurface(const Vector &Point, const LinkedCell* const LC) const
+BoundaryTriangleSet * Tesselation::GetClosestTriangleOnSurface(const Vector &Point, const LinkedCell_deprecated* const LC) const
 {
   Info FunctionInfo(__func__);
@@ -3545 +3545 @@
  * \param *LC Linked Cell structure to find nearest point
  */
-void Tesselation::AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell *LC)
+void Tesselation::AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell_deprecated *LC)
 {
   Info FunctionInfo(__func__);