Changeset 2247a9 for src

Timestamp:

Apr 30, 2010, 9:03:57 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:

3cdd16

Parents:

cdf8fb

git-author:

Tillmann Crueger <crueger@…> (04/30/10 08:26:28)

git-committer:

Tillmann Crueger <crueger@…> (04/30/10 09:03:57)

Message:

Added a class Space to represent general subspaces of R^{3 (planes and lines)}

Location:

src

Files:

• Makefile.am (modified) (2 diffs)
• Plane.cpp (modified) (3 diffs)
• Plane.hpp (modified) (2 diffs)
• Space.cpp (added)
• Space.hpp (added)

src/Makefile.am

@@ -123 +123 @@
                  periodentafel.cpp \
                  Plane.cpp \
+                 Space.cpp \
                  tesselation.cpp \
                  tesselationhelpers.cpp \
@@ -161 +162 @@
           periodentafel.hpp \
           Plane.hpp \
+          Space.hpp \
           stackclass.hpp \
           tesselation.hpp \

src/Plane.cpp

@@ -8 +8 @@
 #include "Plane.hpp"
 #include "vector.hpp"
+#include "defs.hpp"
 #include "Exceptions/LinearDependenceException.hpp"
 #include "info.hpp"
@@ -13 +14 @@
 #include "verbose.hpp"
 #include "Helpers/Assert.hpp"
+#include <cmath>
 
 /**
@@ -163 +165 @@
   return res;
 };
+
+/************ Methods inherited from Space ****************/
+
+double Plane::distance(Vector &point){
+  double res = point.ScalarProduct(*normalVector)-offset;
+  return fabs(res);
+}
+
+Vector Plane::getClosestPoint(Vector &point){
+  Vector difference = distance(point) * (*normalVector);
+  if(difference.IsZero()){
+    // the point itself lies on the plane
+    return point;
+  }
+  // get the direction this vector is pointing
+  double sign = difference.ScalarProduct(*normalVector);
+  // sign cannot be zero, since normalVector and difference are both != zero
+  sign = sign/fabs(sign);
+  return (point - (sign * difference));
+}
+
+bool Plane::isContained(Vector &point){
+  return (point.ScalarProduct(*normalVector) - offset) < MYEPSILON;
+}

src/Plane.hpp

@@ -11 +11 @@
 #include <memory>
 #include <vector>
+#include "Space.hpp"
 
 class Vector;
 
-class Plane
+class Plane : public Space
 {
   typedef std::auto_ptr<Vector> vec_ptr;
@@ -47 +48 @@
   Vector GetIntersection(const Vector &Origin, const Vector &LineVector);
 
+  /****** Methods inherited from Space ***********/
+
+  virtual double distance(Vector &point);
+  virtual Vector getClosestPoint(Vector &point);
+  virtual bool isContained(Vector &point);
+
+
 private:
   vec_ptr normalVector;