Changeset 735b1c for src/tesselationhelpers.cpp

Timestamp:

Mar 1, 2011, 10:16:39 AM (14 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:

5309ba

Parents:

a479fa

git-author:

Frederik Heber <heber@…> (02/22/11 00:15:33)

git-committer:

Frederik Heber <heber@…> (03/01/11 10:16:39)

Message:

ParticleInfo::ParticleInfo_nr is protected and accessed via getter/setter.

• many changes (~400) in molecule- and tesselation-related functions.

File:

• src/tesselationhelpers.cpp (modified) (3 diffs)

src/tesselationhelpers.cpp

@@ -331 +331 @@
         DoLog(1) && (Log() << Verbose(1) << "Node nr. " << i << " is not yet present." << endl);
         result = true;
-      } else if (nodes[i]->lines.find(nodes[j]->node->ParticleInfo_nr) != nodes[i]->lines.end()) {  // there already is a line
+      } else if (nodes[i]->lines.find(nodes[j]->node->getNr()) != nodes[i]->lines.end()) {  // there already is a line
         LineMap::const_iterator FindLine;
         pair<LineMap::const_iterator,LineMap::const_iterator> FindPair;
-        FindPair = nodes[i]->lines.equal_range(nodes[j]->node->ParticleInfo_nr);
+        FindPair = nodes[i]->lines.equal_range(nodes[j]->node->getNr());
         for (FindLine = FindPair.first; FindLine != FindPair.second; ++FindLine) {
           // If there is a line with less than two attached triangles, we don't need a new line.
@@ -724 +724 @@
     for (PointMap::const_iterator target = TesselStruct->PointsOnBoundary.begin(); target != TesselStruct->PointsOnBoundary.end(); ++target) {
       Walker = target->second->node;
-      ASSERT(Walker->ParticleInfo_nr <= MaxId, "WriteTecplotFile() - Id of particle greater than MaxId.");
-      LookupList[Walker->ParticleInfo_nr] = Counter++;
+      ASSERT(Walker->getNr() <= MaxId, "WriteTecplotFile() - Id of particle greater than MaxId.");
+      LookupList[Walker->getNr()] = Counter++;
       for (int i=0;i<NDIM;i++) {
         const double tmp = Walker->at(i);
@@ -737 +737 @@
     for (TriangleMap::const_iterator runner = TesselStruct->TrianglesOnBoundary.begin(); runner != TesselStruct->TrianglesOnBoundary.end(); runner++) {
       DoLog(1) && (Log() << Verbose(1) << " " << runner->second->endpoints[0]->node->getName() << "<->" << runner->second->endpoints[1]->node->getName() << "<->" << runner->second->endpoints[2]->node->getName() << endl);
-      *tecplot << LookupList[runner->second->endpoints[0]->node->ParticleInfo_nr] << " " << LookupList[runner->second->endpoints[1]->node->ParticleInfo_nr] << " " << LookupList[runner->second->endpoints[2]->node->ParticleInfo_nr] << endl;
+      *tecplot << LookupList[runner->second->endpoints[0]->node->getNr()] << " " << LookupList[runner->second->endpoints[1]->node->getNr()] << " " << LookupList[runner->second->endpoints[2]->node->getNr()] << endl;
     }
     delete[] (LookupList);