Changeset 658efb for src

Timestamp:

Aug 19, 2009, 12:22:08 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:

ef9df36

Parents:

54a746

Message:

Replaced Vector::Projection() by Vector::ScalarProduct()

• Projection before was just a return of the Vector::ScalarProduct(). We change it now, to make it return a projected vector, the counterpart to ProjectOntoPlane

Location:

src

Files:

• boundary.cpp (modified) (2 diffs)
• builder.cpp (modified) (2 diffs)
• tesselation.cpp (modified) (5 diffs)
• tesselationhelpers.cpp (modified) (2 diffs)

src/boundary.cpp

@@ -308 +308 @@
 
       //*out << "Checking sign in quadrant : " << ProjectedVector.Projection(&AngleReferenceNormalVector) << "." << endl;
-      if (ProjectedVector.Projection(&AngleReferenceNormalVector) > 0) {
+      if (ProjectedVector.ScalarProduct(&AngleReferenceNormalVector) > 0) {
         angle = 2. * M_PI - angle;
       }
@@ -804 +804 @@
       G = sqrt(((a + b + c) * (a + b + c) - 2 * (a * a + b * b + c * c)) / 16.); // area of tesselated triangle
       x.MakeNormalVector(runner->second->endpoints[0]->node->node, runner->second->endpoints[1]->node->node, runner->second->endpoints[2]->node->node);
-      x.Scale(runner->second->endpoints[1]->node->node->Projection(&x));
+      x.Scale(runner->second->endpoints[1]->node->node->ScalarProduct(&x));
       h = x.Norm(); // distance of CoG to triangle
       PyramidVolume = (1. / 3.) * G * h; // this formula holds for _all_ pyramids (independent of n-edge base or (not) centered peak)

src/builder.cpp

@@ -188 +188 @@
           // remove the projection onto the rotation plane of the second angle
           n.CopyVector(&y);
-          n.Scale(first->x.Projection(&y));
+          n.Scale(first->x.ScalarProduct(&y));
           cout << "N1: ",
           n.Output((ofstream *)&cout);
@@ -197 +197 @@
           cout << endl;
           n.CopyVector(&z);
-          n.Scale(first->x.Projection(&z));
+          n.Scale(first->x.ScalarProduct(&z));
           cout << "N2: ",
           n.Output((ofstream *)&cout);

src/tesselation.cpp

@@ -349 +349 @@
 
   // make it always point inward (any offset vector onto plane projected onto normal vector suffices)
-  if (NormalVector.Projection(&OtherVector) > 0)
+  if (NormalVector.ScalarProduct(&OtherVector) > 0.)
     NormalVector.Scale(-1.);
 };
@@ -737 +737 @@
           TrialVector.CopyVector(checker->second->node->node);
           TrialVector.SubtractVector(A->second->node->node);
-          distance = TrialVector.Projection(&PlaneVector);
+          distance = TrialVector.ScalarProduct(&PlaneVector);
           if (fabs(distance) < 1e-4) // we need to have a small epsilon around 0 which is still ok
             continue;
@@ -897 +897 @@
         TempVector.SubtractVector(baseline->second->endpoints[0]->node->node); // TempVector is vector on triangle plane pointing from one baseline egde towards center!
         //*out << Verbose(2) << "Projection of propagation onto temp: " << PropagationVector.Projection(&TempVector) << "." << endl;
-        if (PropagationVector.Projection(&TempVector) > 0) // make sure normal propagation vector points outward from baseline
+        if (PropagationVector.ScalarProduct(&TempVector) > 0) // make sure normal propagation vector points outward from baseline
           PropagationVector.Scale(-1.);
         *out << Verbose(4) << "PropagationVector of base triangle is " << PropagationVector << endl;
@@ -957 +957 @@
             TempVector.SubtractVector(Center);
             // make it always point outward
-            if (VirtualNormalVector.Projection(&TempVector) < 0)
+            if (VirtualNormalVector.ScalarProduct(&TempVector) < 0)
               VirtualNormalVector.Scale(-1.);
             // calculate angle
@@ -1530 +1530 @@
         AddTesselationLine(TPS[0], TPS[1], 0);
       }
-      cout << Verbose(2) << "Projection is " << BTS->NormalVector.Projection(&Oben) << "." << endl;
+      cout << Verbose(2) << "Projection is " << BTS->NormalVector.ScalarProduct(&Oben) << "." << endl;
     }
     if (BTS != NULL) // we have created one starting triangle

src/tesselationhelpers.cpp

@@ -359 +359 @@
   HeightA.SubtractVector(&par.x1);
 
-  t1 = HeightA.Projection(&SideA)/SideA.ScalarProduct(&SideA);
+  t1 = HeightA.ScalarProduct(&SideA)/SideA.ScalarProduct(&SideA);
 
   SideB.CopyVector(&par.x4);
@@ -366 +366 @@
   HeightB.SubtractVector(&par.x3);
 
-  t2 = HeightB.Projection(&SideB)/SideB.ScalarProduct(&SideB);
+  t2 = HeightB.ScalarProduct(&SideB)/SideB.ScalarProduct(&SideB);
 
   cout << Verbose(2) << "Intersection " << intersection << " is at "