Changeset a7b761b for src/tesselation.cpp

Timestamp:

May 27, 2010, 10:46:54 AM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

1024cb

Parents:

8f215d (diff), 05a97c (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 'MoleculeStartEndSwitch' into StructureRefactoring

Conflicts:

molecuilder/src/Helpers/Assert.cpp
molecuilder/src/Helpers/Assert.hpp
molecuilder/src/Legacy/oldmenu.cpp
molecuilder/src/Makefile.am
molecuilder/src/Patterns/Cacheable.hpp
molecuilder/src/Patterns/Observer.cpp
molecuilder/src/Patterns/Observer.hpp
molecuilder/src/analysis_correlation.cpp
molecuilder/src/boundary.cpp
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/helpers.hpp
molecuilder/src/molecule.cpp
molecuilder/src/molecule.hpp
molecuilder/src/molecule_dynamics.cpp
molecuilder/src/molecule_fragmentation.cpp
molecuilder/src/molecule_geometry.cpp
molecuilder/src/molecule_graph.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/tesselation.cpp
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
molecuilder/src/unittests/ObserverTest.cpp
molecuilder/src/unittests/ObserverTest.hpp

File:

• src/tesselation.cpp (modified) (8 diffs)

src/tesselation.cpp

@@ -21 +21 @@
 #include "Plane.hpp"
 #include "Exceptions/LinearDependenceException.hpp"
+#include "Helpers/Assert.hpp"
+
 #include "Helpers/Assert.hpp"
 
@@ -358 +360 @@
   // get ascending order of endpoints
   PointMap OrderMap;
-  for (int i = 0; i < 3; i++)
+  for (int i = 0; i < 3; i++) {
     // for all three lines
     for (int j = 0; j < 2; j++) { // for both endpoints
@@ -364 +366 @@
       // and we don't care whether insertion fails
     }
+  }
   // set endpoints
   int Counter = 0;
@@ -372 +375 @@
     Counter++;
   }
-  if (Counter < 3) {
-    DoeLog(0) && (eLog() << Verbose(0) << "We have a triangle with only two distinct endpoints!" << endl);
-    performCriticalExit();
-  }
-}
-;
+  ASSERT(Counter >= 3,"We have a triangle with only two distinct endpoints!");
+};
+
 
 /** Destructor of BoundaryTriangleSet.
@@ -1232 +1232 @@
 ;
 
-/** PointCloud implementation of GetTerminalPoint.
- * Uses PointsOnBoundary and STL stuff.
- */
-TesselPoint * Tesselation::GetTerminalPoint() const
-{
-  Info FunctionInfo(__func__);
-  PointMap::const_iterator Runner = PointsOnBoundary.end();
-  Runner--;
-  return (Runner->second->node);
-}
-;
-
 /** PointCloud implementation of GoToNext.
  * Uses PointsOnBoundary and STL stuff.
@@ -1255 +1243 @@
 ;
 
-/** PointCloud implementation of GoToPrevious.
- * Uses PointsOnBoundary and STL stuff.
- */
-void Tesselation::GoToPrevious() const
-{
-  Info FunctionInfo(__func__);
-  if (InternalPointer != PointsOnBoundary.begin())
-    InternalPointer--;
-}
-;
-
 /** PointCloud implementation of GoToFirst.
  * Uses PointsOnBoundary and STL stuff.
@@ -1273 +1250 @@
   Info FunctionInfo(__func__);
   InternalPointer = PointsOnBoundary.begin();
-}
-;
-
-/** PointCloud implementation of GoToLast.
- * Uses PointsOnBoundary and STL stuff.
- */
-void Tesselation::GoToLast() const
-{
-  Info FunctionInfo(__func__);
-  InternalPointer = PointsOnBoundary.end();
-  InternalPointer--;
 }
 ;
@@ -2593 +2559 @@
   // fill the set of neighbours
   TesselPointSet SetOfNeighbours;
+
   SetOfNeighbours.insert(CandidateLine.BaseLine->endpoints[1]->node);
   for (TesselPointList::iterator Runner = CandidateLine.pointlist.begin(); Runner != CandidateLine.pointlist.end(); Runner++)