Changeset e47ac7 for src/FunctionApproximation/unittests

Timestamp:

Nov 4, 2016, 9:37:50 AM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, 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_ChronosMutex, 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_IntegrationTest, 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, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

c7aac9

Parents:

16c6f7

git-author:

Frederik Heber <heber@…> (10/02/16 13:59:35)

git-committer:

Frederik Heber <heber@…> (11/04/16 09:37:50)

Message:

REFACTOR: Removed many unused functions from Extractor namespace.

• TESTFIX: Extractor unit test now only checks on getAllSymmetricDistances().

Location:

src/FunctionApproximation/unittests

Files:

• ExtractorsUnitTest.cpp (modified) (2 diffs)
• ExtractorsUnitTest.hpp (modified) (2 diffs)

src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp

@@ -72 +72 @@
 }
 
-/** UnitTest for gatherAllDistanceArguments()
+/** UnitTest for gatherAllSymmetricDistances()
  */
-void ExtractorsTest::gatherAllDistanceArgumentsTest()
+void ExtractorsTest::gatherAllSymmetricDistancesTest()
 {
   // create positions
@@ -90 +90 @@
   // create distances
   FunctionModel::arguments_t args =
-      Extractors::gatherAllDistanceArguments(positions, charges, 0);
-  CPPUNIT_ASSERT_EQUAL( (size_t)(5*4), args.size() );
+      Extractors::gatherAllSymmetricDistances(positions, charges, 0);
+  CPPUNIT_ASSERT_EQUAL( (size_t)(5*4/2), args.size() );
 
   // check created args
-  for (size_t i=0; i< 5*4; ++i)
+  for (size_t i=0; i< (5*4)/2; ++i)
     CPPUNIT_ASSERT( (args[i].distance >= 0) && (args[i].distance <= 4));
 }
-
-/** UnitTest for gatherPositionsFromFragment()
- */
-void ExtractorsTest::gatherPositionsFromFragmentTest()
-{
-  // create positions
-  Fragment::positions_t positions;
-  Fragment::position_t pos(3, 0.);
-  for (double i = 0; i < 5; i+=1.) {
-    pos[0] = i;
-    positions.push_back(pos);
-  }
-
-  // create charges
-  Fragment::charges_t charges;
-  charges += 6., 6., 1., 1., 1.;
-
-  {
-    // extract carbon pairs
-    Fragment::charges_t carbonpair;
-    carbonpair += 6.,6.;
-    Fragment::positions_t filtered_positions =
-        Extractors::gatherPositionsFromFragment(positions, charges, carbonpair);
-    CPPUNIT_ASSERT_EQUAL( (size_t)2, filtered_positions.size() );
-  }
-
-  {
-    // extract hydrogen triple
-    Fragment::charges_t hydrogentriple;
-    hydrogentriple += 1.,1.,1.;
-    Fragment::positions_t filtered_positions =
-        Extractors::gatherPositionsFromFragment(positions, charges, hydrogentriple);
-    CPPUNIT_ASSERT_EQUAL( (size_t)3, filtered_positions.size() );
-  }
-}
-
-/** UnitTest for gatherDistancesFromFragment()
- */
-void ExtractorsTest::gatherDistancesFromFragmentTest()
-{
-  // create positions
-  Fragment::positions_t positions;
-  Fragment::position_t pos(3, 0.);
-  for (double i = 0; i < 5; i+=1.) {
-    pos[0] = i;
-    positions.push_back(pos);
-  }
-
-  // create charges
-  Fragment::charges_t charges;
-  charges += 6., 6., 1., 1., 1.;
-
-  {
-    // extract carbon pairs
-    Fragment::charges_t carbonpair;
-    carbonpair += 6.,6.;
-    FunctionModel::arguments_t args =
-        Extractors::gatherDistancesFromFragment(positions, charges, carbonpair, 0);
-    CPPUNIT_ASSERT_EQUAL( (size_t)1, args.size() );
-  }
-
-  {
-    // extract hydrogen triple
-    Fragment::charges_t hydrogentriple;
-    hydrogentriple += 1.,1.,1.;
-    FunctionModel::arguments_t args =
-        Extractors::gatherDistancesFromFragment(positions, charges, hydrogentriple, 0);
-    CPPUNIT_ASSERT_EQUAL( (size_t)3, args.size() );
-  }
-}
-
-/** UnitTest for reorderArgumentsByIncreasingDistance()
- */
-void ExtractorsTest::reorderArgumentsByIncreasingDistanceTest()
-{
-  // prepare some arguments
-  FunctionModel::arguments_t args;
-  argument_t arg;
-  arg.distance = 0.1;
-  args.push_back(arg);
-  arg.distance = 0.9;
-  args.push_back(arg);
-  arg.distance = 0.3;
-  args.push_back(arg);
-  CPPUNIT_ASSERT_EQUAL( (size_t)3, args.size() );
-  FunctionModel::list_of_arguments_t listargs(1, args);
-
-  // reorder
-  FunctionModel::list_of_arguments_t listargs_sorted =
-      Extractors::reorderArgumentsByIncreasingDistance(listargs);
-  CPPUNIT_ASSERT_EQUAL( (size_t)1, listargs_sorted.size() );
-  FunctionModel::arguments_t args_sorted = *(listargs_sorted.begin());
-  CPPUNIT_ASSERT_EQUAL( (size_t)3, args_sorted.size() );
-  CPPUNIT_ASSERT_EQUAL( args[0].distance, args_sorted[0].distance );
-  CPPUNIT_ASSERT_EQUAL( args[1].distance, args_sorted[2].distance );
-  CPPUNIT_ASSERT_EQUAL( args[2].distance, args_sorted[1].distance );
-}

src/FunctionApproximation/unittests/ExtractorsUnitTest.hpp

@@ -22 +22 @@
 {
     CPPUNIT_TEST_SUITE( ExtractorsTest) ;
-    CPPUNIT_TEST ( gatherAllDistanceArgumentsTest );
-    CPPUNIT_TEST ( reorderArgumentsByIncreasingDistanceTest );
-    CPPUNIT_TEST ( gatherPositionsFromFragmentTest );
-    CPPUNIT_TEST ( gatherDistancesFromFragmentTest );
+    CPPUNIT_TEST ( gatherAllSymmetricDistancesTest );
     CPPUNIT_TEST_SUITE_END();
 
@@ -31 +28 @@
       void setUp();
       void tearDown();
-      void gatherAllDistanceArgumentsTest();
-      void reorderArgumentsByIncreasingDistanceTest();
-      void gatherPositionsFromFragmentTest();
-      void gatherDistancesFromFragmentTest();
+      void gatherAllSymmetricDistancesTest();
 
 private: