Changeset e9b8bb for src/boundary.cpp

Timestamp:

Aug 6, 2008, 9:02:01 AM (16 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:

5e0d1f

Parents:

d7e30c

Message:

Rename of class vector to Vector to avoid conflict with vector from STL.

File:

• src/boundary.cpp (modified) (8 diffs)

src/boundary.cpp

@@ -151 +151 @@
 };
 
-void BoundaryTriangleSet::GetNormalVector(vector &NormalVector)
+void BoundaryTriangleSet::GetNormalVector(Vector &NormalVector)
 {
   // get normal vector
@@ -211 +211 @@
   Boundaries *BoundaryPoints = new Boundaries [NDIM];  // first is alpha, second is (r, nr)
   BoundariesTestPair BoundaryTestPair;
-  vector AxisVector, AngleReferenceVector, AngleReferenceNormalVector;
+  Vector AxisVector, AngleReferenceVector, AngleReferenceNormalVector;
   double radius, angle;
   // 3a. Go through every axis
@@ -233 +233 @@
     while (Walker->next != mol->end) {
       Walker = Walker->next;
-      vector ProjectedVector;
+      Vector ProjectedVector;
       ProjectedVector.CopyVector(&Walker->x);
       ProjectedVector.ProjectOntoPlane(&AxisVector);
@@ -316 +316 @@
         // construct the vector of each side of the triangle on the projected plane (defined by normal vector AxisVector)
         {
-          vector SideA, SideB, SideC, SideH;
+          Vector SideA, SideB, SideC, SideH;
           SideA.CopyVector(&left->second.second->x);
           SideA.ProjectOntoPlane(&AxisVector);
@@ -394 +394 @@
     GreatestDiameter[i] = 0.;
   double OldComponent, tmp, w1, w2;
-  vector DistanceVector, OtherVector;
+  Vector DistanceVector, OtherVector;
   int component, Othercomponent;
   for(int axis=0;axis<NDIM;axis++) { // regard each projected plane
@@ -470 +470 @@
   double PyramidVolume = 0.;
   double G,h;
-  vector x,y;
+  Vector x,y;
   double a,b,c;
 
   // 1. calculate center of gravity
   *out << endl;
-  vector *CenterOfGravity = mol->DetermineCenterOfGravity(out);
+  Vector *CenterOfGravity = mol->DetermineCenterOfGravity(out);
   
   // 2. translate all points into CoG
@@ -578 +578 @@
     clustervolume = ClusterVolume;
   double *GreatestDiameter = GetDiametersOfCluster(out, BoundaryPoints, mol, IsAngstroem);
-  vector BoxLengths;
+  Vector BoxLengths;
   int repetition[NDIM] = {1, 1, 1};
   int TotalNoClusters = 1;
@@ -755 +755 @@
   class BoundaryPointSet *peak = NULL;
   double SmallestAngle, TempAngle;
-  vector NormalVector, VirtualNormalVector, CenterVector, TempVector, PropagationVector;
+  Vector NormalVector, VirtualNormalVector, CenterVector, TempVector, PropagationVector;
   LineMap::iterator LineChecker[2];
   do {