Changeset fe8253 for src/LinkedCell/unittests

Timestamp:

Jan 2, 2012, 1:00:05 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:

2614e2a

Parents:

9a5649

git-author:

Frederik Heber <heber@…> (11/30/11 10:26:35)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:00:05)

Message:

Added first reasonable heuristic, and added required implementation for Controller.

• LinkedCell_Controller::getBestModel() nows contains some more advanced heuristics.
• extended unit test on all of the added parts.

Location:

src/LinkedCell/unittests

Files:

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

src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.cpp

@@ -28 +28 @@
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinkedCell/LinkedCell_Controller.hpp"
+#include "LinkedCell/LinkedCell_View.hpp"
 #include "LinkedCell/unittests/defs.hpp"
 
@@ -65 +66 @@
 }
 
-
-/** UnitTest for LinkedCell_Controller::getViewTest().
- */
-void LinkedCell_ControllerTest::getViewTest()
-{
-  CPPUNIT_ASSERT_EQUAL(true, true);
-
-}
+/** UnitTest for LinkedCell_Controller's lower and upper thresholds.
+ */
+void LinkedCell_ControllerTest::thresholdTest()
+{
+  /// re-create instances
+  delete controller;
+  delete domain;
+
+  /// create diag(..) matrix beyond upper_threshold
+  const double old_threshold = controller->upper_threshold;
+  controller->lower_threshold = old_threshold*0.9;
+  RealSpaceMatrix BoxM;
+  BoxM.setIdentity();
+  BoxM *= controller->upper_threshold*.5;
+
+  /// create Box with this matrix
+  domain = new Box(BoxM);
+
+  controller = new LinkedCell::LinkedCell_Controller(*domain);
+
+  /// check that thresholds have been adapted
+  CPPUNIT_ASSERT( controller->upper_threshold != old_threshold );
+  CPPUNIT_ASSERT( controller->lower_threshold != old_threshold*0.9 );
+}
+
+/** UnitTest for LinkedCell_Controller::getHeuristicRange().
+ */
+void LinkedCell_ControllerTest::getHeuristicRangeTest()
+{
+  /// re-implementing function to check is nonsense here, instead try some
+  /// hard-coded, working values;
+  controller->lower_threshold = 1.;
+  controller->upper_threshold = 20.;
+  const double inbetween = 9.5; // half and twice is definitely within both thresholds.
+
+  /// check distance in between
+  range<double> interval = controller->getHeuristicRange(inbetween);
+  CPPUNIT_ASSERT ( interval.first != controller->lower_threshold );
+  CPPUNIT_ASSERT ( interval.last != controller->upper_threshold );
+}
+
+/** UnitTest for LinkedCell_Controller::getViewTest() for getting twice the same view.
+ */
+void LinkedCell_ControllerTest::getView_SameViewTest()
+{
+  /// obtain a view
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
+  LinkedCell::LinkedCell_View view = controller->getView(2.);
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+
+  {
+    /// get same view again and check that now new instance appears
+    LinkedCell::LinkedCell_View view_again = controller->getView(2.);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+}
+
+/** UnitTest for LinkedCell_Controller::getViewTest() for picking two different views.
+ */
+void LinkedCell_ControllerTest::getView_DifferentViewTest()
+{
+  /// obtain a view
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
+  LinkedCell::LinkedCell_View view = controller->getView(2.);
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+
+  {
+    /// pick another view that is not close enough
+    LinkedCell::LinkedCell_View view_other = controller->getView(5.);
+    CPPUNIT_ASSERT_EQUAL( (size_t)2, controller->ModelsMap.size() );
+  }
+}
+
+/** UnitTest for LinkedCell_Controller::getViewTest() for picking further views in range of present one.
+ */
+void LinkedCell_ControllerTest::getView_InRangeViewTest()
+{
+  /// obtain a view
+  const double edgelength = 2.;
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
+  LinkedCell::LinkedCell_View view = controller->getView(edgelength);
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+
+  /// pick views that are close enough
+  range<double> interval = controller->getHeuristicRange(edgelength);
+  {
+    /// ... at half lower interval half
+    LinkedCell::LinkedCell_View view_lowerhalf = controller->getView((edgelength + interval.first)/2.);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+  {
+    /// ... at half upper interval half
+    LinkedCell::LinkedCell_View view_upperhalf = controller->getView((interval.last + edgelength)/2.);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+  {
+    /// ... close to lower boundary
+    LinkedCell::LinkedCell_View view_closelower = controller->getView(interval.first + std::numeric_limits<double>::round_error());
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+  {
+    /// ... close to upper boundary
+    LinkedCell::LinkedCell_View view_closerupper = controller->getView(interval.last - std::numeric_limits<double>::round_error());
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+  {
+    /// on lower boundary
+    LinkedCell::LinkedCell_View view_onlower = controller->getView(interval.first);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+}
+
+/** UnitTest for LinkedCell_Controller::getViewTest() for picking further views outside range.
+ */
+void LinkedCell_ControllerTest::getView_OutOfRangeViewTest()
+{
+  /// Here we need half of the edge length to be greater than lower_threshold
+  const double edgelength = 2.5;
+  CPPUNIT_ASSERT( (edgelength/2.) > controller->lower_threshold );
+  /// obtain a view
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
+  LinkedCell::LinkedCell_View view = controller->getView(edgelength);
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+
+  /// pick views that are not close enough and check for new instance
+  range<double> interval = controller->getHeuristicRange(edgelength);
+  {
+    /// ... outside lower boundary
+    LinkedCell::LinkedCell_View view_outsidelower = controller->getView(interval.first - std::numeric_limits<double>::round_error());
+    CPPUNIT_ASSERT_EQUAL( (size_t)2, controller->ModelsMap.size() );
+  }
+  {
+    /// ... on upper boundary
+    LinkedCell::LinkedCell_View view_onupper = controller->getView(interval.last);
+    CPPUNIT_ASSERT_EQUAL( (size_t)3, controller->ModelsMap.size() );
+  }
+}
+
+/** UnitTest for LinkedCell_Controller::getViewTest() for picking views beneath lower threshold.
+ */
+void LinkedCell_ControllerTest::getView_LowerThresholdViewTest()
+{
+  /// obtain a view
+  const double edgelength = 1.9*controller->lower_threshold;
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
+  LinkedCell::LinkedCell_View view = controller->getView(edgelength);
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+
+  {
+    /// get a view at threshold and check that no new instance has been created
+    LinkedCell::LinkedCell_View view_onlower = controller->getView(controller->lower_threshold);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+  {
+    /// pick a view below 1.
+    LinkedCell::LinkedCell_View view_beneathlower = controller->getView(0.1*controller->lower_threshold);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+}
+
+/** UnitTest for LinkedCell_Controller::getViewTest() for picking views above upper threshold.
+ */
+void LinkedCell_ControllerTest::getView_UpperThresholdViewTest()
+{
+  /// obtain a view
+  const double edgelength = controller->upper_threshold;
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
+  LinkedCell::LinkedCell_View view = controller->getView(edgelength);
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+
+  {
+    /// get a view beyond threshold and check that no new instance has been created
+    LinkedCell::LinkedCell_View view_beyondupper = controller->getView(1.1*controller->upper_threshold);
+    CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
+  }
+
+  {
+    /// pick a view below threshold and check for new instance (if we make it outside acceptable range)
+    range<double> interval = controller->getHeuristicRange(edgelength);
+    if ( !interval.isInRange(0.1*controller->upper_threshold) ) {
+      LinkedCell::LinkedCell_View view_beneathupper = controller->getView(0.1*controller->upper_threshold);
+      CPPUNIT_ASSERT_EQUAL( (size_t)2, controller->ModelsMap.size() );
+    }
+  }
+}

src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.hpp

@@ -28 +28 @@
 {
     CPPUNIT_TEST_SUITE( LinkedCell_ControllerTest) ;
-    CPPUNIT_TEST ( getViewTest );
+    CPPUNIT_TEST ( thresholdTest );
+    CPPUNIT_TEST ( getHeuristicRangeTest );
+    CPPUNIT_TEST ( getView_SameViewTest );
+    CPPUNIT_TEST ( getView_DifferentViewTest );
+    CPPUNIT_TEST ( getView_InRangeViewTest );
+    CPPUNIT_TEST ( getView_OutOfRangeViewTest );
+    CPPUNIT_TEST ( getView_LowerThresholdViewTest );
+    CPPUNIT_TEST ( getView_UpperThresholdViewTest );
     CPPUNIT_TEST_SUITE_END();
 
@@ -35 +42 @@
       void tearDown();
 
-      void getViewTest();
+      void thresholdTest();
+      void getHeuristicRangeTest();
+      void getView_SameViewTest();
+      void getView_DifferentViewTest();
+      void getView_InRangeViewTest();
+      void getView_OutOfRangeViewTest();
+      void getView_LowerThresholdViewTest();
+      void getView_UpperThresholdViewTest();
 
 private: