Changeset 8f215d


Ignore:
Timestamp:
May 21, 2010, 10:08:40 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:
1ac51b, 215df0, a7b761b
Parents:
f2f4ae
Message:

Simplified tesselation.cpp by allowing direct access to derived triangle internals

Location:
src
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • src/boundary.cpp

    rf2f4ae r8f215d  
    620620  for (TriangleMap::iterator runner = TesselStruct->TrianglesOnBoundary.begin(); runner != TesselStruct->TrianglesOnBoundary.end(); runner++)
    621621    { // go through every triangle, calculate volume of its pyramid with CoG as peak
    622       x = (*runner->second->endpoints[0]->node->node) - (*runner->second->endpoints[1]->node->node);
    623       y = (*runner->second->endpoints[0]->node->node) - (*runner->second->endpoints[2]->node->node);
    624       const double a = sqrt(runner->second->endpoints[0]->node->node->DistanceSquared(*runner->second->endpoints[1]->node->node));
    625       const double b = sqrt(runner->second->endpoints[0]->node->node->DistanceSquared(*runner->second->endpoints[2]->node->node));
    626       const double c = sqrt(runner->second->endpoints[2]->node->node->DistanceSquared(*runner->second->endpoints[1]->node->node));
     622      x = runner->second->getEndpoint(0) - runner->second->getEndpoint(1);
     623      y = runner->second->getEndpoint(0) - runner->second->getEndpoint(2);
     624      const double a = x.Norm();
     625      const double b = y.Norm();
     626      const double c = runner->second->getEndpoint(2).distance(runner->second->getEndpoint(1));
    627627      const double G = sqrt(((a + b + c) * (a + b + c) - 2 * (a * a + b * b + c * c)) / 16.); // area of tesselated triangle
    628       x = Plane(*(runner->second->endpoints[0]->node->node),
    629                 *(runner->second->endpoints[1]->node->node),
    630                 *(runner->second->endpoints[2]->node->node)).getNormal();
    631       x.Scale(runner->second->endpoints[1]->node->node->ScalarProduct(x));
     628      x = runner->second->getPlane().getNormal();
     629      x.Scale(runner->second->getEndpoint(1).ScalarProduct(x));
    632630      const double h = x.Norm(); // distance of CoG to triangle
    633631      const double PyramidVolume = (1. / 3.) * G * h; // this formula holds for _all_ pyramids (independent of n-edge base or (not) centered peak)
  • src/tesselation.cpp

    rf2f4ae r8f215d  
    694694}
    695695
     696Vector BoundaryTriangleSet::getEndpoint(int i) const{
     697  ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
     698
     699  return *endpoints[i]->node->node;
     700}
     701
     702string BoundaryTriangleSet::getEndpointName(int i) const{
     703  ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
     704
     705  return endpoints[i]->node->getName();
     706}
     707
    696708/** output operator for BoundaryTriangleSet.
    697709 * \param &ost output stream
     
    700712ostream &operator <<(ostream &ost, const BoundaryTriangleSet &a)
    701713{
    702   ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << "," << a.endpoints[1]->node->getName() << "," << a.endpoints[2]->node->getName() << "]";
     714  ost << "[" << a.Nr << "|" << a.getEndpointName(0) << "," << a.getEndpointName(1) << "," << a.getEndpointName(2) << "]";
    703715  //  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << ","
    704716  //      << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "," << a.endpoints[2]->node->Name << " at " << *a.endpoints[2]->node->node << "]";
     
    14671479        CenterVector.Zero();
    14681480        for (int i = 0; i < 3; i++)
    1469           CenterVector += (*BTS->endpoints[i]->node->node);
     1481          CenterVector += BTS->getEndpoint(i);
    14701482        CenterVector.Scale(1. / 3.);
    14711483        DoLog(2) && (Log() << Verbose(2) << "CenterVector of base triangle is " << CenterVector << endl);
     
    48144826  if (LastTriangle != NULL) {
    48154827    stringstream sstr;
    4816     sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->endpoints[0]->node->getName() << "_" << LastTriangle->endpoints[1]->node->getName() << "_" << LastTriangle->endpoints[2]->node->getName();
     4828    sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->getEndpointName(0) << "_" << LastTriangle->getEndpointName(1) << "_" << LastTriangle->getEndpointName(2);
    48174829    NumberName = sstr.str();
    48184830    if (DoTecplotOutput) {
  • src/tesselation.hpp

    rf2f4ae r8f215d  
    168168
    169169    Plane getPlane() const;
     170    Vector getEndpoint(int) const;
     171    std::string getEndpointName(int) const;
    170172
    171173    class BoundaryPointSet *endpoints[3];
     
    174176    Vector SphereCenter;
    175177    int Nr;
     178
     179  private:
     180
    176181};
    177182
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