Changeset 5a8d61 for src/Shapes/ShapeOps_impl.hpp

Timestamp:

Mar 28, 2012, 3:17:38 PM (13 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:

3e1b7b

Parents:

6acc2f3

git-author:

Frederik Heber <heber@…> (01/19/12 00:55:04)

git-committer:

Frederik Heber <heber@…> (03/28/12 15:17:38)

Message:

Added new function to all Shape: getHomogeneousPointsInVolume().

• basically it is not implemented except for ShapeOps, yet.
• there is an initial unit test Shape_HomogeneousPointsUnitTest.

File:

• src/Shapes/ShapeOps_impl.hpp (modified) (5 diffs)

src/Shapes/ShapeOps_impl.hpp

@@ -37 +37 @@
   virtual enum ShapeType getType() const;
   virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
+  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 protected:
   virtual Vector translateIn(const Vector &point) const=0;
@@ -58 +59 @@
   virtual bool isInside(const Vector& point) const;
   virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
+  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   double size;
@@ -76 +78 @@
   virtual bool isInside(const Vector& point) const;
   virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
+  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   Vector offset;
@@ -92 +95 @@
   virtual bool isInside(const Vector& point) const;
   virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
+  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   Vector factors;
@@ -109 +113 @@
   virtual bool isInside(const Vector& point) const;
   virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
+  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   RealSpaceMatrix transformation;