Changeset a2a2f7 for src/Tesselation

Timestamp:

Apr 29, 2014, 12:42:43 PM (11 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:

ae68b5

Parents:

c9db50

git-author:

Frederik Heber <heber@…> (02/01/14 15:42:09)

git-committer:

Frederik Heber <heber@…> (04/29/14 12:42:43)

Message:

Huge warning fix.

• fixed unused variables.
• fixed set but unused variables.
• fixed signed vs. unsigned int comparison.
• fixed static_warning_test<false, 98> (commented out _IMPLEMENT).

Location:

src/Tesselation

Files:

• boundary.cpp (modified) (4 diffs)
• tesselation.cpp (modified) (6 diffs)
• tesselationhelpers.cpp (modified) (2 diffs)

src/Tesselation/boundary.cpp

@@ -1278 +1278 @@
   // Center filler at origin
   filler->CenterEdge(&Inserter);
-  const int FillerCount = filler->getAtomCount();
+//  const int FillerCount = filler->getAtomCount();
   LOG(2, "INFO: Filler molecule has the following bonds:");
   for(molecule::iterator AtomRunner = filler->begin(); AtomRunner != filler->end(); ++AtomRunner) {
@@ -1290 +1290 @@
   }
 
-  atom * CopyAtoms[FillerCount];
+//  atom * CopyAtoms[FillerCount];
 
   setVerbosity(4);
@@ -1445 +1445 @@
   CandidateForTesselation *baseline = NULL;
   bool OneLoopWithoutSuccessFlag = true;  // marks whether we went once through all baselines without finding any without two triangles
-  bool TesselationFailFlag = false;
+//  bool TesselationFailFlag = false;
 
   mol->getAtomCount();
@@ -1486 +1486 @@
 
     // 2b. find best candidate for each OpenLine
-    TesselationFailFlag = TesselStruct->FindCandidatesforOpenLines(RADIUS, LCList);
+    const bool TesselationFailFlag = TesselStruct->FindCandidatesforOpenLines(RADIUS, LCList);
+    ASSERT( TesselationFailFlag,
+        "FindNonConvexBorder() - at least one open line without candidate exists.");
 
     // 2c. print OpenLines with candidates again

src/Tesselation/tesselation.cpp

@@ -120 +120 @@
   BoundaryTriangleSet *T = NULL;
   bool OneLoopWithoutSuccessFlag = true;
-  bool TesselationFailFlag = false;
   while ((!OpenLines.empty()) && (OneLoopWithoutSuccessFlag)) {
     // 2a. fill all new OpenLines
@@ -128 +127 @@
         T = (((baseline->BaseLine->triangles.begin()))->second);
         //the line is there, so there is a triangle, but only one.
-        TesselationFailFlag = FindNextSuitableTriangle(*baseline, *T, SPHERERADIUS, LinkedList);
+        const bool TesselationFailFlag = FindNextSuitableTriangle(*baseline, *T, SPHERERADIUS, LinkedList);
+        ASSERT( TesselationFailFlag,
+            "Tesselation::operator() - no suitable candidate triangle found.");
       }
     }
@@ -1399 +1400 @@
  * @param N number of found triangles
  * @param *LC LinkedCell_deprecated structure with neighbouring points
+ * @return false - no suitable candidate found
  */
 bool Tesselation::FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, const BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell_deprecated *LC)
@@ -3223 +3225 @@
   list<TesselPointList *>::iterator ListAdvance = ListOfClosedPaths->begin();
   list<TesselPointList *>::iterator ListRunner = ListAdvance;
-  TriangleMap::iterator NumberRunner = Candidates.begin();
+//  TriangleMap::iterator NumberRunner = Candidates.begin();
   TesselPointList::iterator StartNode, MiddleNode, EndNode;
   double angle;
@@ -3637 +3639 @@
       // check whether we have to fix lines
       BoundaryTriangleSet *Othertriangle = NULL;
-      BoundaryTriangleSet *OtherpartnerTriangle = NULL;
+//      BoundaryTriangleSet *OtherpartnerTriangle = NULL;
       TriangleMap::iterator TriangleRunner;
       for (int i = 0; i < 3; ++i)
@@ -3648 +3650 @@
               }
             for (TriangleRunner = partnerTriangle->lines[i]->triangles.begin(); TriangleRunner != partnerTriangle->lines[i]->triangles.end(); ++TriangleRunner)
-              if (TriangleRunner->second != partnerTriangle) {
-                OtherpartnerTriangle = TriangleRunner->second;
-              }
+//              if (TriangleRunner->second != partnerTriangle) {
+//                OtherpartnerTriangle = TriangleRunner->second;
+//              }
             /// interchanges their lines so that triangle->lines[i] == partnerTriangle->lines[j]
             // the line of triangle receives the degenerated ones

src/Tesselation/tesselationhelpers.cpp

@@ -430 +430 @@
   TesselPoint* secondClosestPoint = NULL;
   double distance = 1e16;
-  double secondDistance = 1e16;
+//  double secondDistance = 1e16;
   Vector helper;
   int N[NDIM], Nlower[NDIM], Nupper[NDIM];
@@ -451 +451 @@
             if (currentNorm < distance) {
               // remember second point
-              secondDistance = distance;
+//              secondDistance = distance;
               secondClosestPoint = closestPoint;
               // mark down new closest point