Changeset fe90ab for src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp

Timestamp:

Sep 14, 2016, 7:02:33 AM (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, SaturateAtoms_findBestMatching, 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:

1af2ae

Parents:

36bd59

git-author:

Frederik Heber <heber@…> (07/12/14 19:07:44)

git-committer:

Frederik Heber <heber@…> (09/14/16 07:02:33)

Message:

recurseMatching() now takes connections into account.

• matchSphericalPointDistribution() replaced by getRemainingPoints() as that describes what it does. match...() sounds symmetrical which the function is no longer as connection is associated with former _newpolygon.
• SphericalPointDistribution now has internal points and adjacency, initialized by initSelf().
• findBestMatching() and getRemainingPoints() are no longer static functions.
• all unit tests are working again, including the .._multiple() that tests for joint points due to bond degree greater than 1.
• the huge case switch in SaturatedFragment::saturateAtom() now resides in initSelf().

File:

• src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (modified) (2 diffs)

src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp

@@ -65 +65 @@
     CPPUNIT_TEST ( getConnectionTest<12> );
     CPPUNIT_TEST ( getConnectionTest<14> );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_2 );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_3 );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_4 );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_5 );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_6 );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_7 );
-    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_8 );
-//    CPPUNIT_TEST ( matchSphericalPointDistributionsTest_multiple );
+    CPPUNIT_TEST ( getRemainingPointsTest_2 );
+    CPPUNIT_TEST ( getRemainingPointsTest_3 );
+    CPPUNIT_TEST ( getRemainingPointsTest_4 );
+    CPPUNIT_TEST ( getRemainingPointsTest_5 );
+    CPPUNIT_TEST ( getRemainingPointsTest_6 );
+    CPPUNIT_TEST ( getRemainingPointsTest_7 );
+    CPPUNIT_TEST ( getRemainingPointsTest_8 );
+    CPPUNIT_TEST ( getRemainingPointsTest_multiple );
     CPPUNIT_TEST_SUITE_END();
 
@@ -81 +81 @@
       void areEqualToWithinBoundsTest();
       void joinPointsTest();
-      void matchSphericalPointDistributionsTest_2();
-      void matchSphericalPointDistributionsTest_3();
-      void matchSphericalPointDistributionsTest_4();
-      void matchSphericalPointDistributionsTest_5();
-      void matchSphericalPointDistributionsTest_6();
-      void matchSphericalPointDistributionsTest_7();
-      void matchSphericalPointDistributionsTest_8();
-      void matchSphericalPointDistributionsTest_multiple();
+      void getRemainingPointsTest_2();
+      void getRemainingPointsTest_3();
+      void getRemainingPointsTest_4();
+      void getRemainingPointsTest_5();
+      void getRemainingPointsTest_6();
+      void getRemainingPointsTest_7();
+      void getRemainingPointsTest_8();
+      void getRemainingPointsTest_multiple();
 
 private: