Changeset e138de for src/tesselation.hpp

Timestamp:

Nov 4, 2009, 7:56:04 PM (16 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, Candidate_v1.7.0, Candidate_v1.7.1, 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:

1614174, e5ad5c

Parents:

7326b2

Message:

Huge change from ofstream * (const) out --> Log().

• first shift was done via regular expressions
• then via error messages from the code
• note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
• make check runs fine
• MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>

File:

• src/tesselation.hpp (modified) (5 diffs)

src/tesselation.hpp

@@ -108 +108 @@
     bool IsConnectedTo(class BoundaryLineSet *line);
     bool ContainsBoundaryPoint(class BoundaryPointSet *point);
-    bool CheckConvexityCriterion(ofstream *out);
+    bool CheckConvexityCriterion();
     class BoundaryPointSet *GetOtherEndpoint(class BoundaryPointSet *);
 
@@ -128 +128 @@
     void GetNormalVector(Vector &NormalVector);
     void GetCenter(Vector *center);
-    bool GetIntersectionInsideTriangle(ofstream *out, Vector *MolCenter, Vector *x, Vector *Intersection);
+    bool GetIntersectionInsideTriangle(Vector *MolCenter, Vector *x, Vector *Intersection);
     bool ContainsBoundaryLine(class BoundaryLineSet *line);
     bool ContainsBoundaryPoint(class BoundaryPointSet *point);
@@ -170 +170 @@
   virtual ~PointCloud();
 
-  virtual Vector *GetCenter(ofstream *out) const { return NULL; };
+  virtual Vector *GetCenter() const { return NULL; };
   virtual TesselPoint *GetPoint() const { return NULL; };
   virtual TesselPoint *GetTerminalPoint() const { return NULL; };
@@ -215 +215 @@
 
     // concave envelope
-    void FindStartingTriangle(ofstream *out, const double RADIUS, const LinkedCell *LC);
+    void FindStartingTriangle(const double RADIUS, const LinkedCell *LC);
     void FindSecondPointForTesselation(class TesselPoint* a, Vector Oben, class TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell *LC);
     void FindThirdPointForTesselation(Vector NormalVector, Vector SearchDirection, Vector OldSphereCenter, class BoundaryLineSet *BaseLine, class TesselPoint *ThirdNode, CandidateList* &candidates, double *ShortestAngle, const double RADIUS, const LinkedCell *LC);
-    bool FindNextSuitableTriangle(ofstream *out, BoundaryLineSet &Line, BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC);
-    int CheckPresenceOfTriangle(ofstream *out, class TesselPoint *Candidates[3]);
-    class BoundaryTriangleSet * GetPresentTriangle(ofstream *out, TesselPoint *Candidates[3]);
+    bool FindNextSuitableTriangle(BoundaryLineSet &Line, BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC);
+    int CheckPresenceOfTriangle(class TesselPoint *Candidates[3]);
+    class BoundaryTriangleSet * GetPresentTriangle(TesselPoint *Candidates[3]);
 
     // convex envelope
-    void TesselateOnBoundary(ofstream *out, const PointCloud * const cloud);
-    void GuessStartingTriangle(ofstream *out);
-    bool InsertStraddlingPoints(ofstream *out, const PointCloud *cloud, const LinkedCell *LC);
-    double RemovePointFromTesselatedSurface(ofstream *out, class BoundaryPointSet *point);
-    class BoundaryLineSet * FlipBaseline(ofstream *out, class BoundaryLineSet *Base);
-    double PickFarthestofTwoBaselines(ofstream *out, class BoundaryLineSet *Base);
-    class BoundaryPointSet *IsConvexRectangle(ofstream *out, class BoundaryLineSet *Base);
+    void TesselateOnBoundary(const PointCloud * const cloud);
+    void GuessStartingTriangle();
+    bool InsertStraddlingPoints(const PointCloud *cloud, const LinkedCell *LC);
+    double RemovePointFromTesselatedSurface(class BoundaryPointSet *point);
+    class BoundaryLineSet * FlipBaseline(class BoundaryLineSet *Base);
+    double PickFarthestofTwoBaselines(class BoundaryLineSet *Base);
+    class BoundaryPointSet *IsConvexRectangle(class BoundaryLineSet *Base);
     map<int, int> * FindAllDegeneratedTriangles();
     map<int, int> * FindAllDegeneratedLines();
     void RemoveDegeneratedTriangles();
-    void AddBoundaryPointByDegeneratedTriangle(ofstream *out, class TesselPoint *point, LinkedCell *LC);
-
-    set<TesselPoint*> * GetAllConnectedPoints(ofstream *out, const TesselPoint* const Point) const;
-    set<BoundaryTriangleSet*> *GetAllTriangles(ofstream *out, const BoundaryPointSet * const Point) const;
-    list<list<TesselPoint*> *> * GetPathsOfConnectedPoints(ofstream *out, const TesselPoint* const Point) const;
-    list<list<TesselPoint*> *> * GetClosedPathsOfConnectedPoints(ofstream *out, const TesselPoint* const Point) const;
-    list<TesselPoint*> * GetCircleOfConnectedPoints(ofstream *out, const TesselPoint* const Point, const Vector * const Reference = NULL) const;
+    void AddBoundaryPointByDegeneratedTriangle(class TesselPoint *point, LinkedCell *LC);
+
+    set<TesselPoint*> * GetAllConnectedPoints(const TesselPoint* const Point) const;
+    set<BoundaryTriangleSet*> *GetAllTriangles(const BoundaryPointSet * const Point) const;
+    list<list<TesselPoint*> *> * GetPathsOfConnectedPoints(const TesselPoint* const Point) const;
+    list<list<TesselPoint*> *> * GetClosedPathsOfConnectedPoints(const TesselPoint* const Point) const;
+    list<TesselPoint*> * GetCircleOfConnectedPoints(const TesselPoint* const Point, const Vector * const Reference = NULL) const;
     class BoundaryPointSet *GetCommonEndpoint(const BoundaryLineSet * line1, const BoundaryLineSet * line2) const;
     list<BoundaryTriangleSet*> *FindTriangles(const TesselPoint* const Points[3]) const;
-    list<BoundaryTriangleSet*> * FindClosestTrianglesToPoint(ofstream *out, const Vector *x, const LinkedCell* LC) const;
-    class BoundaryTriangleSet * FindClosestTriangleToPoint(ofstream *out, const Vector *x, const LinkedCell* LC) const;
-    bool IsInnerPoint(ofstream *out, const Vector &Point, const LinkedCell* const LC) const;
-    bool IsInnerPoint(ofstream *out, const TesselPoint * const Point, const LinkedCell* const LC) const;
+    list<BoundaryTriangleSet*> * FindClosestTrianglesToPoint(const Vector *x, const LinkedCell* LC) const;
+    class BoundaryTriangleSet * FindClosestTriangleToPoint(const Vector *x, const LinkedCell* LC) const;
+    bool IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const;
+    bool IsInnerPoint(const TesselPoint * const Point, const LinkedCell* const LC) const;
     bool AddBoundaryPoint(TesselPoint * Walker, const int n);
 
@@ -254 +254 @@
 
     // store envelope in file
-    void Output(ofstream *out, const char *filename, const PointCloud * const cloud);
+    void Output(const char *filename, const PointCloud * const cloud);
 
     PointMap PointsOnBoundary;