Changeset 5de9da for src/Shapes/BaseShapes.cpp

Timestamp:

Jul 14, 2010, 2:52:07 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:

ef84ca

Parents:

06300d

Message:

Added some important Methods to Shape class hierachy

• Shape::isOnSurface()
• Shape::getNormal()

File:

• src/Shapes/BaseShapes.cpp (modified) (2 diffs)

src/Shapes/BaseShapes.cpp

@@ -10 +10 @@
 
 #include "vector.hpp"
+#include "Helpers/Assert.hpp"
+
+#include <cmath>
 
 bool Sphere_impl::isInside(const Vector &point){
   return point.NormSquared()<=1;
+}
+
+bool Sphere_impl::isOnSurface(const Vector &point){
+  return fabs(point.NormSquared()-1)<MYEPSILON;
+}
+
+Vector Sphere_impl::getNormal(const Vector &point) throw(NotOnSurfaceException){
+  if(!isOnSurface(point)){
+    throw NotOnSurfaceException(__FILE__,__LINE__);
+  }
+  return point;
 }
 
@@ -21 +35 @@
 
 bool Cuboid_impl::isInside(const Vector &point){
-  return point[0]<=1 && point[1]<=1 && point[2]<=1;
+  return fabs(point[0])<=1 && fabs(point[1])<=1 && fabs(point[2])<=1;
+}
+
+bool Cuboid_impl::isOnSurface(const Vector &point){
+  bool retVal = isInside(point);
+  // test all borders of the cuboid
+  // double fabs
+  retVal = retVal &&
+           ((fabs(fabs(point[0])-1)  < MYEPSILON) ||
+            (fabs(fabs(point[1])-1)  < MYEPSILON) ||
+            (fabs(fabs(point[2])-1)  < MYEPSILON));
+  return retVal;
+}
+
+Vector Cuboid_impl::getNormal(const Vector &point) throw(NotOnSurfaceException){
+  if(!isOnSurface(point)){
+    throw NotOnSurfaceException(__FILE__,__LINE__);
+  }
+  Vector res;
+  // figure out on which sides the Vector lies (maximum 3, when it is in a corner)
+  for(int i=NDIM;i--;){
+    if(fabs(fabs(point[i])-1)<MYEPSILON){
+      // add the scaled (-1/+1) Vector to the set of surface vectors
+      res[i] = point[i];
+    }
+  }
+  ASSERT(res.NormSquared()>=1 && res.NormSquared()<=3,"To many or to few sides found for this Vector");
+
+  res.Normalize();
+  return res;
 }
 
 Shape Cuboid(){
-  Shape::impl_ptr impl = Shape::impl_ptr(new Sphere_impl());
+  Shape::impl_ptr impl = Shape::impl_ptr(new Cuboid_impl());
   return Shape(impl);
 }