Changeset a7c344 for src/tesselation.cpp

Timestamp:

Jun 19, 2010, 4:06:59 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:

c39cc4

Parents:

b32dbb (diff), 27ac00 (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 'StructureRefactoring' of jupiter:espack into StructureRefactoring

File:

• src/tesselation.cpp (modified) (9 diffs)

src/tesselation.cpp

@@ -17 +17 @@
 #include "triangleintersectionlist.hpp"
 #include "vector.hpp"
+#include "Line.hpp"
 #include "vector_ops.hpp"
 #include "verbose.hpp"
@@ -469 +470 @@
 
   try {
-    *Intersection = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(*MolCenter, *x);
-  }
-  catch (LinearDependenceException &excp) {
-    Log() << Verbose(1) << excp;
-    DoeLog(1) && (eLog() << Verbose(1) << "Alas! Intersection with plane failed - at least numerically - the intersection is not on the plane!" << endl);
-    return false;
-  }
-
-  DoLog(1) && (Log() << Verbose(1) << "INFO: Triangle is " << *this << "." << endl);
-  DoLog(1) && (Log() << Verbose(1) << "INFO: Line is from " << *MolCenter << " to " << *x << "." << endl);
-  DoLog(1) && (Log() << Verbose(1) << "INFO: Intersection is " << *Intersection << "." << endl);
-
-  if (Intersection->DistanceSquared(*endpoints[0]->node->node) < MYEPSILON) {
-    DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with first endpoint." << endl);
-    return true;
-  }   else if (Intersection->DistanceSquared(*endpoints[1]->node->node) < MYEPSILON) {
-    DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with second endpoint." << endl);
-    return true;
-  }   else if (Intersection->DistanceSquared(*endpoints[2]->node->node) < MYEPSILON) {
-    DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with third endpoint." << endl);
-    return true;
-  }
-  // Calculate cross point between one baseline and the line from the third endpoint to intersection
-  int i = 0;
-  do {
-    try {
-      CrossPoint = GetIntersectionOfTwoLinesOnPlane(*(endpoints[i%3]->node->node),
-                                                    *(endpoints[(i+1)%3]->node->node),
-                                                    *(endpoints[(i+2)%3]->node->node),
-                                                    *Intersection);
+    Line centerLine = makeLineThrough(*MolCenter, *x);
+    *Intersection = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(centerLine);
+
+    DoLog(1) && (Log() << Verbose(1) << "INFO: Triangle is " << *this << "." << endl);
+    DoLog(1) && (Log() << Verbose(1) << "INFO: Line is from " << *MolCenter << " to " << *x << "." << endl);
+    DoLog(1) && (Log() << Verbose(1) << "INFO: Intersection is " << *Intersection << "." << endl);
+
+    if (Intersection->DistanceSquared(*endpoints[0]->node->node) < MYEPSILON) {
+      DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with first endpoint." << endl);
+      return true;
+    }   else if (Intersection->DistanceSquared(*endpoints[1]->node->node) < MYEPSILON) {
+      DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with second endpoint." << endl);
+      return true;
+    }   else if (Intersection->DistanceSquared(*endpoints[2]->node->node) < MYEPSILON) {
+      DoLog(1) && (Log() << Verbose(1) << "Intersection coindices with third endpoint." << endl);
+      return true;
+    }
+    // Calculate cross point between one baseline and the line from the third endpoint to intersection
+    int i = 0;
+    do {
+      Line line1 = makeLineThrough(*(endpoints[i%3]->node->node),*(endpoints[(i+1)%3]->node->node));
+      Line line2 = makeLineThrough(*(endpoints[(i+2)%3]->node->node),*Intersection);
+      CrossPoint = line1.getIntersection(line2);
       helper = (*endpoints[(i+1)%3]->node->node) - (*endpoints[i%3]->node->node);
       CrossPoint -= (*endpoints[i%3]->node->node);  // cross point was returned as absolute vector
@@ -505 +499 @@
       if ((s < -MYEPSILON) || ((s-1.) > MYEPSILON)) {
         DoLog(1) && (Log() << Verbose(1) << "INFO: Crosspoint " << CrossPoint << "outside of triangle." << endl);
-        i=4;
-        break;
+        return false;
       }
       i++;
-    } catch (LinearDependenceException &excp){
-      break;
-    }
-  } while (i < 3);
-  if (i == 3) {
+    } while (i < 3);
     DoLog(1) && (Log() << Verbose(1) << "INFO: Crosspoint " << CrossPoint << " inside of triangle." << endl);
     return true;
-  } else {
-    DoLog(1) && (Log() << Verbose(1) << "INFO: Crosspoint " << CrossPoint << " outside of triangle." << endl);
+  }
+  catch (MathException &excp) {
+    Log() << Verbose(1) << excp;
+    DoeLog(1) && (eLog() << Verbose(1) << "Alas! Intersection with plane failed - at least numerically - the intersection is not on the plane!" << endl);
     return false;
   }
@@ -544 +535 @@
   GetCenter(&Direction);
   try {
-    *ClosestPoint = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(*x, Direction);
-  }
-  catch (LinearDependenceException &excp) {
+    Line l = makeLineThrough(*x, Direction);
+    *ClosestPoint = Plane(NormalVector, *(endpoints[0]->node->node)).GetIntersection(l);
+  }
+  catch (MathException &excp) {
     (*ClosestPoint) = (*x);
   }
@@ -569 +561 @@
     Direction = (*endpoints[(i+1)%3]->node->node) - (*endpoints[i%3]->node->node);
     // calculate intersection, line can never be parallel to Direction (is the same vector as PlaneNormal);
-    CrossPoint[i] = Plane(Direction, InPlane).GetIntersection(*(endpoints[i%3]->node->node), *(endpoints[(i+1)%3]->node->node));
+    Line l = makeLineThrough(*(endpoints[i%3]->node->node), *(endpoints[(i+1)%3]->node->node));
+    CrossPoint[i] = Plane(Direction, InPlane).GetIntersection(l);
     CrossDirection[i] = CrossPoint[i] - InPlane;
     CrossPoint[i] -= (*endpoints[i%3]->node->node);  // cross point was returned as absolute vector
@@ -740 +733 @@
 }
 
+Vector BoundaryTriangleSet::getEndpoint(int i) const{
+  ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
+
+  return *endpoints[i]->node->node;
+}
+
+string BoundaryTriangleSet::getEndpointName(int i) const{
+  ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
+
+  return endpoints[i]->node->getName();
+}
+
 /** output operator for BoundaryTriangleSet.
  * \param &ost output stream
@@ -746 +751 @@
 ostream &operator <<(ostream &ost, const BoundaryTriangleSet &a)
 {
-  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << "," << a.endpoints[1]->node->getName() << "," << a.endpoints[2]->node->getName() << "]";
+  ost << "[" << a.Nr << "|" << a.getEndpointName(0) << "," << a.getEndpointName(1) << "," << a.getEndpointName(2) << "]";
   //  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << ","
   //      << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "," << a.endpoints[2]->node->Name << " at " << *a.endpoints[2]->node->node << "]";
@@ -1514 +1519 @@
         CenterVector.Zero();
         for (int i = 0; i < 3; i++)
-          CenterVector += (*BTS->endpoints[i]->node->node);
+          CenterVector += BTS->getEndpoint(i);
         CenterVector.Scale(1. / 3.);
         DoLog(2) && (Log() << Verbose(2) << "CenterVector of base triangle is " << CenterVector << endl);
@@ -4868 +4873 @@
   if (LastTriangle != NULL) {
     stringstream sstr;
-    sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->endpoints[0]->node->getName() << "_" << LastTriangle->endpoints[1]->node->getName() << "_" << LastTriangle->endpoints[2]->node->getName();
+    sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->getEndpointName(0) << "_" << LastTriangle->getEndpointName(1) << "_" << LastTriangle->getEndpointName(2);
     NumberName = sstr.str();
     if (DoTecplotOutput) {