Changeset 68f03d for src/tesselation.cpp
- Timestamp:
- May 8, 2010, 12:47:57 PM (15 years ago)
- 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:
- 6d789df
- Parents:
- 6f646d
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/tesselation.cpp
r6f646d r68f03d 83 83 ostream & operator <<(ostream &ost, const BoundaryPointSet &a) 84 84 { 85 ost << "[" << a.Nr << "|" << a.node-> Name<< " at " << *a.node->node << "]";85 ost << "[" << a.Nr << "|" << a.node->getName() << " at " << *a.node->node << "]"; 86 86 return ost; 87 87 } … … 321 321 ostream & operator <<(ostream &ost, const BoundaryLineSet &a) 322 322 { 323 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 << "]";323 ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << " at " << *a.endpoints[0]->node->node << "," << a.endpoints[1]->node->getName() << " at " << *a.endpoints[1]->node->node << "]"; 324 324 return ost; 325 325 } … … 688 688 ostream &operator <<(ostream &ost, const BoundaryTriangleSet &a) 689 689 { 690 ost << "[" << a.Nr << "|" << a.endpoints[0]->node-> Name << "," << a.endpoints[1]->node->Name << "," << a.endpoints[2]->node->Name<< "]";690 ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << "," << a.endpoints[1]->node->getName() << "," << a.endpoints[2]->node->getName() << "]"; 691 691 // ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << "," 692 692 // << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "," << a.endpoints[2]->node->Name << " at " << *a.endpoints[2]->node->node << "]"; … … 948 948 ost << "[" << a.Nr << "|"; 949 949 for (PointSet::const_iterator Runner = a.endpoints.begin(); Runner != a.endpoints.end();) { 950 ost << (*Runner)->node-> Name;950 ost << (*Runner)->node->getName(); 951 951 Runner++; 952 952 if (Runner != a.endpoints.end()) … … 967 967 node = NULL; 968 968 nr = -1; 969 Name = NULL;970 969 } 971 970 ; … … 983 982 ostream & operator <<(ostream &ost, const TesselPoint &a) 984 983 { 985 ost << "[" << (a.Name) << "|" << a.Name << " at" << *a.node << "]";984 ost << "[" << a.getName() << "|" << *a.node << "]"; 986 985 return ost; 987 986 } … … 1135 1134 ostream & operator <<(ostream &ost, const CandidateForTesselation &a) 1136 1135 { 1137 ost << "[" << a.BaseLine->Nr << "|" << a.BaseLine->endpoints[0]->node-> Name << "," << a.BaseLine->endpoints[1]->node->Name<< "] with ";1136 ost << "[" << a.BaseLine->Nr << "|" << a.BaseLine->endpoints[0]->node->getName() << "," << a.BaseLine->endpoints[1]->node->getName() << "] with "; 1138 1137 if (a.pointlist.empty()) 1139 1138 ost << "no candidate."; … … 1348 1347 if (fabs(distance) < 1e-4) // we need to have a small epsilon around 0 which is still ok 1349 1348 continue; 1350 DoLog(2) && (Log() << Verbose(2) << "Projection of " << checker->second->node-> Name<< " yields distance of " << distance << "." << endl);1349 DoLog(2) && (Log() << Verbose(2) << "Projection of " << checker->second->node->getName() << " yields distance of " << distance << "." << endl); 1351 1350 tmp = distance / fabs(distance); 1352 1351 // 4b. Any have different sign to than before? (i.e. would lie outside convex hull with this starting triangle) 1353 1352 if ((sign != 0) && (tmp != sign)) { 1354 1353 // 4c. If so, break 4. loop and continue with next candidate in 1. loop 1355 DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node-> Name << "," << baseline->second.first->second->node->Name << "," << baseline->second.second->second->node->Name << " leaves " << checker->second->node->Name<< " outside the convex hull." << endl);1354 DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node->getName() << "," << baseline->second.first->second->node->getName() << "," << baseline->second.second->second->node->getName() << " leaves " << checker->second->node->getName() << " outside the convex hull." << endl); 1356 1355 break; 1357 1356 } else { // note the sign for later 1358 DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node-> Name << "," << baseline->second.first->second->node->Name << "," << baseline->second.second->second->node->Name << " leave " << checker->second->node->Name<< " inside the convex hull." << endl);1357 DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node->getName() << "," << baseline->second.first->second->node->getName() << "," << baseline->second.second->second->node->getName() << " leave " << checker->second->node->getName() << " inside the convex hull." << endl); 1359 1358 sign = tmp; 1360 1359 } … … 4292 4291 DoLog(2) && (Log() << Verbose(2) << "INFO: MiddleNode is " << **MiddleNode << "." << endl); 4293 4292 DoLog(2) && (Log() << Verbose(2) << "INFO: EndNode is " << **EndNode << "." << endl); 4294 DoLog(1) && (Log() << Verbose(1) << "INFO: Attempting to create triangle " << (*StartNode)-> Name << ", " << (*MiddleNode)->Name << " and " << (*EndNode)->Name<< "." << endl);4293 DoLog(1) && (Log() << Verbose(1) << "INFO: Attempting to create triangle " << (*StartNode)->getName() << ", " << (*MiddleNode)->getName() << " and " << (*EndNode)->getName() << "." << endl); 4295 4294 TriangleCandidates[0] = *StartNode; 4296 4295 TriangleCandidates[1] = *MiddleNode; … … 4714 4713 return; 4715 4714 } 4716 DoLog(0) && (Log() << Verbose(0) << "Nearest point on boundary is " << NearestPoint-> Name<< "." << endl);4715 DoLog(0) && (Log() << Verbose(0) << "Nearest point on boundary is " << NearestPoint->getName() << "." << endl); 4717 4716 4718 4717 // go through its lines and find the best one to split … … 4799 4798 ofstream *tempstream = NULL; 4800 4799 string NameofTempFile; 4801 char NumberName[255];4800 string NumberName; 4802 4801 4803 4802 if (LastTriangle != NULL) { 4804 sprintf(NumberName, "-%04d-%s_%s_%s", (int) TrianglesOnBoundary.size(), LastTriangle->endpoints[0]->node->Name, LastTriangle->endpoints[1]->node->Name, LastTriangle->endpoints[2]->node->Name); 4803 stringstream sstr; 4804 sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->endpoints[0]->node->getName() << "_" << LastTriangle->endpoints[1]->node->getName() << "_" << LastTriangle->endpoints[2]->node->getName(); 4805 NumberName = sstr.str(); 4805 4806 if (DoTecplotOutput) { 4806 4807 string NameofTempFile(filename);
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