Changeset 821907

Timestamp:

Mar 1, 2010, 8:28:32 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:

b74f7d

Parents:

b11d3b

Message:

Added Vector Copy constructors, Vector::GetDistanceVectorToPlane() and Vector::DistanceToVector() makes use of it

• Copy Constructors taking const pointers and const reference as argument
• Vector::DistanceToVector() basically renamed to Vector::GetDistanceVectorToPlane()
• Vector::DistanceToVector() uses the latter

Location:

src

Files:

• vector.cpp (modified) (3 diffs)
• vector.hpp (modified) (2 diffs)

src/vector.cpp

@@ -26 +26 @@
  */
 Vector::Vector() { x[0] = x[1] = x[2] = 0.; };
+
+/** Constructor of class vector.
+ */
+Vector::Vector(const Vector * const a)
+{
+  x[0] = a->x[0];
+  x[1] = a->x[1];
+  x[2] = a->x[2];
+};
+
+/** Constructor of class vector.
+ */
+Vector::Vector(const Vector &a)
+{
+  x[0] = a.x[0];
+  x[1] = a.x[1];
+  x[2] = a.x[2];
+};
 
 /** Constructor of class vector.
@@ -267 +285 @@
 };
 
-/** Calculates the minimum distance of this vector to the plane.
+/** 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
- */
-double Vector::DistanceToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
+ * \return distance vector onto to plane
+ */
+Vector Vector::GetDistanceVectorToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
 {
   Vector temp;
@@ -291 +309 @@
     sign = 0.;
 
-  return (temp.Norm()*sign);
+  temp.Normalize();
+  temp.Scale(sign);
+  return temp;
+};
+
+/** Calculates the minimum distance of this vector to the plane.
+ * \sa Vector::GetDistanceVectorToPlane()
+ * \param *out output stream for debugging
+ * \param *PlaneNormal normal of plane
+ * \param *PlaneOffset offset of plane
+ * \return distance to plane
+ */
+double Vector::DistanceToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
+{
+  return GetDistanceVectorToPlane(PlaneNormal,PlaneOffset).Norm();
 };
 

src/vector.hpp

@@ -27 +27 @@
 
   Vector();
+  Vector(const Vector * const a);
+  Vector(const Vector &a);
   Vector(const double x1, const double x2, const double x3);
   ~Vector();
@@ -67 +69 @@
   void LinearCombinationOfVectors(const Vector * const x1, const Vector * const x2, const Vector * const x3, const double * const factors);
   double CutsPlaneAt(const Vector * const A, const Vector * const B, const Vector * const C) const;
+  Vector GetDistanceVectorToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const;
   bool GetIntersectionWithPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset, const Vector * const Origin, const Vector * const LineVector);
   bool GetIntersectionOfTwoLinesOnPlane(const Vector * const Line1a, const Vector * const Line1b, const Vector * const Line2a, const Vector * const Line2b, const Vector *Normal = NULL);