Changeset 42a101 for src/vector.cpp

Timestamp:

May 28, 2010, 8:25:27 AM (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:

ccf826

Parents:

643e76

Message:

Removed RotateVector() function in favor of Line::rotateVector() method.

Line::rotateVector() is able to rotate any vector around any line in space.

File:

• src/vector.cpp (modified) (2 diffs)

src/vector.cpp

@@ -213 +213 @@
 {
   Vector tmp;
-  tmp[0] = x[1]* (y[2]) - x[2]* (y[1]);
-  tmp[1] = x[2]* (y[0]) - x[0]* (y[2]);
-  tmp[2] = x[0]* (y[1]) - x[1]* (y[0]);
+  tmp[0] = x[1]* y[2] - x[2]* y[1];
+  tmp[1] = x[2]* y[0] - x[0]* y[2];
+  tmp[2] = x[0]* y[1] - x[1]* y[0];
   (*this) = tmp;
 };
@@ -232 +232 @@
   *this -= tmp;
 };
-
-/** Calculates the minimum distance vector of this vector to the plane.
- * \param *out output stream for debugging
- * \param *PlaneNormal normal of plane
- * \param *PlaneOffset offset of plane
- * \return distance to plane
- * \return distance vector onto to plane
- */
-Vector Vector::GetDistanceVectorToPlane(const Vector &PlaneNormal, const Vector &PlaneOffset) const
-{
-  Vector temp = (*this) - PlaneOffset;
-  temp.MakeNormalTo(PlaneNormal);
-  temp.Scale(-1.);
-  // then add connecting vector from plane to point
-  temp += (*this)-PlaneOffset;
-  double sign = temp.ScalarProduct(PlaneNormal);
-  if (fabs(sign) > MYEPSILON)
-    sign /= fabs(sign);
-  else
-    sign = 0.;
-
-  temp.Normalize();
-  temp.Scale(sign);
-  return temp;
-};
-
 
 /** Calculates the minimum distance of this vector to the plane.