Changeset d74077 for src/triangleintersectionlist.cpp

Timestamp:

Jul 31, 2010, 3:23:10 PM (15 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, 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:

8f4df1

Parents:

5fbaeb

Message:

Member variable Vector and element of class atom are now private.

• renamed to AtomicPosition
• created interface class VectorInterface with alle functions from class Vector as virtual ones
• implemented in AtomInfo
• everywhere direct access to AtomicPosition has been replaced by get/setPosition() and others
• for element get/setType() have been present already, direct access has been replaced by calling of these.
• class TesselPoint now derives from AtomInfo and ParticleInfo
• tesselation.cpp split up
  • new files for the classes: BoundaryLineSet, BoundaryPointSet, BoundaryPolygonSet, BoundaryTriangleSet, CandidateForTesselation, PointCloud, TesselPoint
  • all defines are in BoundaryMaps.hpp

File:

• src/triangleintersectionlist.cpp (modified) (6 diffs)

src/triangleintersectionlist.cpp

@@ -15 +15 @@
 #include "triangleintersectionlist.hpp"
 
+#include "BoundaryPointSet.hpp"
+#include "BoundaryLineSet.hpp"
+#include "BoundaryTriangleSet.hpp"
 #include "info.hpp"
 #include "tesselation.hpp"
@@ -23 +26 @@
  *
  */
-TriangleIntersectionList::TriangleIntersectionList(const Vector *x, const Tesselation *surface, const LinkedCell* LC) :
+TriangleIntersectionList::TriangleIntersectionList(const Vector &x, const Tesselation *surface, const LinkedCell* LC) :
   Point(x),
   Tess(surface),
@@ -70 +73 @@
   }
   // return reference, if none can be found
-  return *Point;
+  return Point;
 };
 
@@ -99 +102 @@
   if (runner != IntersectionList.end()) {
     // if we have found one, check Scalarproduct between the vector
-    Vector TestVector = (*Point) - (*(*runner).second);
+    Vector TestVector = (Point) - (*(*runner).second);
     if (fabs(TestVector.NormSquared()) < MYEPSILON) //
       return true;
@@ -138 +141 @@
     // get intersection with triangle plane
     Intersection = new Vector;
-    (*TriangleRunner)->GetClosestPointInsideTriangle(Point, Intersection);
-    //Log() << Verbose(1) << "Intersection between " << *Point << " and " << **TriangleRunner << " is at " << *Intersection << "." << endl;
+    (*TriangleRunner)->GetClosestPointInsideTriangle(Point, *Intersection);
+    //Log() << Verbose(1) << "Intersection between " << Point << " and " << **TriangleRunner << " is at " << *Intersection << "." << endl;
     IntersectionList.insert( pair<BoundaryTriangleSet *, Vector * > (*TriangleRunner, Intersection) );
   }
@@ -151 +154 @@
   if (DistanceList.empty())
     for (TriangleVectorMap::const_iterator runner = IntersectionList.begin(); runner != IntersectionList.end(); runner++)
-      DistanceList.insert( pair<double, BoundaryTriangleSet *> (Point->distance(*(*runner).second), (*runner).first) );
+      DistanceList.insert( pair<double, BoundaryTriangleSet *> (Point.distance(*(*runner).second), (*runner).first) );
 
   //for (DistanceTriangleMap::const_iterator runner = DistanceList.begin(); runner != DistanceList.end(); runner++)