Changeset 355af8 for src/FunctionApproximation

Timestamp:

Feb 24, 2013, 12:58:52 PM (12 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:

8aa597

Parents:

4ec18b

git-author:

Frederik Heber <heber@…> (10/22/12 13:38:54)

git-committer:

Frederik Heber <heber@…> (02/24/13 12:58:52)

Message:

Argument_t now has two Comparators on indices or distance.

• added unit test on class argument_t's comparators.

Location:

src/FunctionApproximation

Files:

• FunctionArgument.hpp (modified) (1 diff)
• unittests/FunctionArgumentUnitTest.cpp (added)
• unittests/FunctionArgumentUnitTest.hpp (added)
• unittests/Makefile.am (added)

src/FunctionApproximation/FunctionArgument.hpp

@@ -65 +65 @@
   {}
 
+  /** Comparator with respect to the distance.
+   *
+   * \note We'll have this as static function to allow usage in e.g. STL's sort.
+   *
+   * \param one first argument
+   * \param other other argument to compare to \a one to
+   * \return true - first distance is less
+   */
+  static bool DistanceComparator(const argument_t &one, const argument_t &other)
+  {
+    return one.distance < other.distance;
+  }
+
+  /** Comparator with respect to the pair of indices.
+   *
+   * \note We'll have this as static function to allow usage in e.g. STL's sort.
+   *
+   * \param one first argument
+   * \param other other argument to compare to \a one to
+   * \return true - first index is less or if equal, second index is less, else
+   */
+  bool static IndexComparator(const argument_t &one, const argument_t &other)
+  {
+    if (one.indices.first < other.indices.first)
+      return true;
+    else if (one.indices.first > other.indices.first)
+      return false;
+    else
+      return one.indices.second < other.indices.second;
+  }
+
   //!> indices between which the distance is given
   indices_t indices;