Changeset 028790 for src/Fragmentation/Summation/SetValues/SamplingGrid.hpp

Timestamp:

Sep 14, 2016, 6:42:52 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, 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_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

5b1e5e

Parents:

c6ddcb

git-author:

Frederik Heber <heber@…> (03/10/16 14:52:28)

git-committer:

Frederik Heber <heber@…> (09/14/16 18:42:52)

Message:

Moved getNearestLowerGridPoint and ..Higher:: from SamplingGrid to SamplingGridProperties.

• we only use functions from ..Properties anyway.

File:

• src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) (1 diff)

src/Fragmentation/Summation/SetValues/SamplingGrid.hpp

@@ -362 +362 @@
   void setWindowSize(const double _begin_window[3], const double _end_window[3]);
 
-  /** Helper function to get point at grid point for given \a axis and less than value.
-   *
-   * @param value value to find nearest grid point to
-   * @param axis axis of the value
-   * @return nearest lower grid point
-   */
-  double getNearestLowerGridPoint(
-      const double value, const size_t axis) const;
-
-  /** Helper function to get point at grid point for given \a axis and greater than value.
-   *
-   * @param value value to find nearest grid point to
-   * @param axis axis of the value
-   * @return nearest lower grid point
-   */
-  double getNearestHigherGridPoint(
-      const double value, const size_t axis) const;
-
 public:
   /// We do not store the whole grid if many entries are actually zero