Changeset 8f4df1 for src/triangleintersectionlist.cpp

Timestamp:

Aug 7, 2010, 12:07:04 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, 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:

2d292d

Parents:

8d6d31 (diff), d74077 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'AtomicPositionEncapsulation' into stable

Conflicts:

src/Actions/AtomAction/ChangeElementAction.cpp
src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp
src/Makefile.am
src/UIElements/TextUI/TextDialog.cpp
src/analysis_correlation.hpp
src/atom.cpp
src/atom_atominfo.hpp
src/bond.cpp
src/boundary.cpp
src/molecule_geometry.cpp
src/tesselation.cpp
src/tesselationhelpers.cpp
src/triangleintersectionlist.cpp
src/unittests/Makefile.am

• fixed #includes due to moves to Helpers and LinearAlgebra
• moved VectorInterface.* and vector_ops.* to LinearAlgebra
• no more direct access of atom::node, remapped to set/getPosition()
• no more direct access to atom::type, remapped to set/getType() (also in atom due to derivation and atominfo::AtomicElement is private not protected).

File:

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

src/triangleintersectionlist.cpp

@@ -16 +16 @@
 
 #include "Helpers/Info.hpp"
+#include "BoundaryMaps.hpp"
+#include "BoundaryPointSet.hpp"
+#include "BoundaryLineSet.hpp"
+#include "BoundaryTriangleSet.hpp"
 #include "tesselation.hpp"
 #include "LinearAlgebra/Vector.hpp"
@@ -23 +27 @@
  *
  */
-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 +74 @@
   }
   // return reference, if none can be found
-  return *Point;
+  return Point;
 };
 
@@ -99 +103 @@
   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 +142 @@
     // 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 +155 @@
   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++)