Changeset 273382 for src/Plane.cpp

Timestamp:

Apr 13, 2010, 1:22:42 PM (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:

1bd79e

Parents:

72e7fa

Message:

Prepared interface of Vector Class for transition to VectorComposites

File:

• src/Plane.cpp (modified) (7 diffs)

src/Plane.cpp ¶

@@ -20 +20 @@
   normalVector(new Vector())
 {
-  Vector x1, x2;
-
-  x1.CopyVector(&y1);
-  x1.SubtractVector(&y2);
-  x2.CopyVector(&y3);
-  x2.SubtractVector(&y2);
-  if ((fabs(x1.Norm()) < MYEPSILON) || (fabs(x2.Norm()) < MYEPSILON) || (fabs(x1.Angle(&x2)) < MYEPSILON)) {
+  Vector x1 = y1 -y2;
+  Vector x2 = y3 -y2;
+  if ((fabs(x1.Norm()) < MYEPSILON) || (fabs(x2.Norm()) < MYEPSILON) || (fabs(x1.Angle(x2)) < MYEPSILON)) {
     throw LinearDependenceException(__FILE__,__LINE__);
   }
@@ -41 +37 @@
   normalVector->Normalize();
 
-  offset=normalVector->ScalarProduct(&y1);
+  offset=normalVector->ScalarProduct(y1);
 }
 /**
@@ -51 +47 @@
     offset(_offset)
 {
-  Vector x1,x2;
-  x1.CopyVector(&y1);
-  x2.CopyVector(&y2);
-  if ((fabs(x1.Norm()) < MYEPSILON) || (fabs(x2.Norm()) < MYEPSILON) || (fabs(x1.Angle(&x2)) < MYEPSILON)) {
+  Vector x1 = y1;
+  Vector x2 = y2;
+  if ((fabs(x1.Norm()) < MYEPSILON) || (fabs(x2.Norm()) < MYEPSILON) || (fabs(x1.Angle(x2)) < MYEPSILON)) {
     throw LinearDependenceException(__FILE__,__LINE__);
   }
@@ -84 +79 @@
     normalVector(new Vector(_normalVector))
 {
-  offset = normalVector->ScalarProduct(&_offsetVector);
+  offset = normalVector->ScalarProduct(_offsetVector);
 }
 
@@ -126 +121 @@
   Log() << Verbose(1) << "INFO: Direction is " << Direction << "." << endl;
   //Log() << Verbose(1) << "INFO: PlaneNormal is " << *PlaneNormal << " and PlaneOffset is " << *PlaneOffset << "." << endl;
-  double factor1 = Direction.ScalarProduct(normalVector.get());
+  double factor1 = Direction.ScalarProduct(*normalVector.get());
   if (fabs(factor1) < MYEPSILON) { // Uniqueness: line parallel to plane?
     Log() << Verbose(1) << "BAD: Line is parallel to plane, no intersection." << endl;
@@ -132 +127 @@
   }
 
-  double factor2 = Origin.ScalarProduct(normalVector.get());
+  double factor2 = Origin.ScalarProduct(*normalVector.get());
   if (fabs(factor2-offset) < MYEPSILON) { // Origin is in-plane
     Log() << Verbose(1) << "GOOD: Origin of line is in-plane." << endl;
@@ -147 +142 @@
 
   // test whether resulting vector really is on plane
-  ASSERT(fabs(res.ScalarProduct(normalVector.get()) - offset) < MYEPSILON,
+  ASSERT(fabs(res.ScalarProduct((*normalVector.get())) - offset) < MYEPSILON,
          "Calculated line-Plane intersection does not lie on plane.");
   return res;