Changeset d66cb7 for src/unittests

Timestamp:

Feb 22, 2012, 11:28:41 AM (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:

c52e08

Parents:

dd067a

git-author:

Frederik Heber <heber@…> (01/02/12 19:04:42)

git-committer:

Frederik Heber <heber@…> (02/22/12 11:28:41)

Message:

Replaced Conditions_t by BoundaryConditions::BCContainer in class Box.

File:

• src/unittests/BoxUnitTest.cpp (modified) (8 diffs)

src/unittests/BoxUnitTest.cpp

@@ -896 +896 @@
   VECTORSET(std::vector) res;
 
-  unitBox->setCondition(0,Box::Bounce);
-  stretchedBox1->setCondition(0,Box::Bounce);
-  stretchedBox2->setCondition(0,Box::Bounce);
-  stretchedBox3->setCondition(0,Box::Bounce);
-  stretchedBox4->setCondition(0,Box::Bounce);
-  tiltedBox1->setCondition(0,Box::Bounce);
-  tiltedBox2->setCondition(0,Box::Bounce);
-  tiltedBox3->setCondition(0,Box::Bounce);
-  tiltedBox4->setCondition(0,Box::Bounce);
+  unitBox->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox1->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox2->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox3->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox4->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox1->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox2->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox3->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox4->setCondition(0,BoundaryConditions::Bounce);
 
   {
@@ -994 +994 @@
   }
 
-  unitBox->setCondition(1,Box::Bounce);
-  stretchedBox1->setCondition(1,Box::Bounce);
-  stretchedBox2->setCondition(1,Box::Bounce);
-  stretchedBox3->setCondition(1,Box::Bounce);
-  stretchedBox4->setCondition(1,Box::Bounce);
-  tiltedBox1->setCondition(1,Box::Bounce);
-  tiltedBox2->setCondition(1,Box::Bounce);
-  tiltedBox3->setCondition(1,Box::Bounce);
-  tiltedBox4->setCondition(1,Box::Bounce);
+  unitBox->setCondition(1,BoundaryConditions::Bounce);
+  stretchedBox1->setCondition(1,BoundaryConditions::Bounce);
+  stretchedBox2->setCondition(1,BoundaryConditions::Bounce);
+  stretchedBox3->setCondition(1,BoundaryConditions::Bounce);
+  stretchedBox4->setCondition(1,BoundaryConditions::Bounce);
+  tiltedBox1->setCondition(1,BoundaryConditions::Bounce);
+  tiltedBox2->setCondition(1,BoundaryConditions::Bounce);
+  tiltedBox3->setCondition(1,BoundaryConditions::Bounce);
+  tiltedBox4->setCondition(1,BoundaryConditions::Bounce);
 
   {
@@ -1092 +1092 @@
   }
 
-  unitBox->setCondition(2,Box::Bounce);
-  stretchedBox1->setCondition(2,Box::Bounce);
-  stretchedBox2->setCondition(2,Box::Bounce);
-  stretchedBox3->setCondition(2,Box::Bounce);
-  stretchedBox4->setCondition(2,Box::Bounce);
-  tiltedBox1->setCondition(2,Box::Bounce);
-  tiltedBox2->setCondition(2,Box::Bounce);
-  tiltedBox3->setCondition(2,Box::Bounce);
-  tiltedBox4->setCondition(2,Box::Bounce);
+  unitBox->setCondition(2,BoundaryConditions::Bounce);
+  stretchedBox1->setCondition(2,BoundaryConditions::Bounce);
+  stretchedBox2->setCondition(2,BoundaryConditions::Bounce);
+  stretchedBox3->setCondition(2,BoundaryConditions::Bounce);
+  stretchedBox4->setCondition(2,BoundaryConditions::Bounce);
+  tiltedBox1->setCondition(2,BoundaryConditions::Bounce);
+  tiltedBox2->setCondition(2,BoundaryConditions::Bounce);
+  tiltedBox3->setCondition(2,BoundaryConditions::Bounce);
+  tiltedBox4->setCondition(2,BoundaryConditions::Bounce);
 
   {
@@ -1195 +1195 @@
   VECTORSET(std::vector) res;
 
-  unitBox->setCondition(0,Box::Ignore);
-  stretchedBox1->setCondition(0,Box::Ignore);
-  stretchedBox2->setCondition(0,Box::Ignore);
-  stretchedBox3->setCondition(0,Box::Ignore);
-  stretchedBox4->setCondition(0,Box::Ignore);
-  tiltedBox1->setCondition(0,Box::Ignore);
-  tiltedBox2->setCondition(0,Box::Ignore);
-  tiltedBox3->setCondition(0,Box::Ignore);
-  tiltedBox4->setCondition(0,Box::Ignore);
+  unitBox->setCondition(0,BoundaryConditions::Ignore);
+  stretchedBox1->setCondition(0,BoundaryConditions::Ignore);
+  stretchedBox2->setCondition(0,BoundaryConditions::Ignore);
+  stretchedBox3->setCondition(0,BoundaryConditions::Ignore);
+  stretchedBox4->setCondition(0,BoundaryConditions::Ignore);
+  tiltedBox1->setCondition(0,BoundaryConditions::Ignore);
+  tiltedBox2->setCondition(0,BoundaryConditions::Ignore);
+  tiltedBox3->setCondition(0,BoundaryConditions::Ignore);
+  tiltedBox4->setCondition(0,BoundaryConditions::Ignore);
 
   {
@@ -1293 +1293 @@
   }
 
-  unitBox->setCondition(1,Box::Ignore);
-  stretchedBox1->setCondition(1,Box::Ignore);
-  stretchedBox2->setCondition(1,Box::Ignore);
-  stretchedBox3->setCondition(1,Box::Ignore);
-  stretchedBox4->setCondition(1,Box::Ignore);
-  tiltedBox1->setCondition(1,Box::Ignore);
-  tiltedBox2->setCondition(1,Box::Ignore);
-  tiltedBox3->setCondition(1,Box::Ignore);
-  tiltedBox4->setCondition(1,Box::Ignore);
+  unitBox->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox1->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox2->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox3->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox4->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox1->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox2->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox3->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox4->setCondition(1,BoundaryConditions::Ignore);
 
   {
@@ -1391 +1391 @@
   }
 
-  unitBox->setCondition(2,Box::Ignore);
-  stretchedBox1->setCondition(2,Box::Ignore);
-  stretchedBox2->setCondition(2,Box::Ignore);
-  stretchedBox3->setCondition(2,Box::Ignore);
-  stretchedBox4->setCondition(2,Box::Ignore);
-  tiltedBox1->setCondition(2,Box::Ignore);
-  tiltedBox2->setCondition(2,Box::Ignore);
-  tiltedBox3->setCondition(2,Box::Ignore);
-  tiltedBox4->setCondition(2,Box::Ignore);
+  unitBox->setCondition(2,BoundaryConditions::Ignore);
+  stretchedBox1->setCondition(2,BoundaryConditions::Ignore);
+  stretchedBox2->setCondition(2,BoundaryConditions::Ignore);
+  stretchedBox3->setCondition(2,BoundaryConditions::Ignore);
+  stretchedBox4->setCondition(2,BoundaryConditions::Ignore);
+  tiltedBox1->setCondition(2,BoundaryConditions::Ignore);
+  tiltedBox2->setCondition(2,BoundaryConditions::Ignore);
+  tiltedBox3->setCondition(2,BoundaryConditions::Ignore);
+  tiltedBox4->setCondition(2,BoundaryConditions::Ignore);
 
   {
@@ -1494 +1494 @@
   VECTORSET(std::vector) res;
 
-  unitBox->setCondition(0,Box::Bounce);
-  unitBox->setCondition(1,Box::Ignore);
-  unitBox->setCondition(2,Box::Wrap);
-
-  stretchedBox1->setCondition(0,Box::Bounce);
-  stretchedBox1->setCondition(1,Box::Ignore);
-  stretchedBox1->setCondition(2,Box::Wrap);
-
-  stretchedBox2->setCondition(0,Box::Bounce);
-  stretchedBox2->setCondition(1,Box::Ignore);
-  stretchedBox2->setCondition(2,Box::Wrap);
-
-  stretchedBox3->setCondition(0,Box::Bounce);
-  stretchedBox3->setCondition(1,Box::Ignore);
-  stretchedBox3->setCondition(2,Box::Wrap);
-
-  stretchedBox4->setCondition(0,Box::Bounce);
-  stretchedBox4->setCondition(1,Box::Ignore);
-  stretchedBox4->setCondition(2,Box::Wrap);
-
-  tiltedBox1->setCondition(0,Box::Bounce);
-  tiltedBox1->setCondition(1,Box::Ignore);
-  tiltedBox1->setCondition(2,Box::Wrap);
-
-  tiltedBox2->setCondition(0,Box::Bounce);
-  tiltedBox2->setCondition(1,Box::Ignore);
-  tiltedBox2->setCondition(2,Box::Wrap);
-
-  tiltedBox3->setCondition(0,Box::Bounce);
-  tiltedBox3->setCondition(1,Box::Ignore);
-  tiltedBox3->setCondition(2,Box::Wrap);
-
-  tiltedBox4->setCondition(0,Box::Bounce);
-  tiltedBox4->setCondition(1,Box::Ignore);
-  tiltedBox4->setCondition(2,Box::Wrap);
+  unitBox->setCondition(0,BoundaryConditions::Bounce);
+  unitBox->setCondition(1,BoundaryConditions::Ignore);
+  unitBox->setCondition(2,BoundaryConditions::Wrap);
+
+  stretchedBox1->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox1->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox1->setCondition(2,BoundaryConditions::Wrap);
+
+  stretchedBox2->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox2->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox2->setCondition(2,BoundaryConditions::Wrap);
+
+  stretchedBox3->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox3->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox3->setCondition(2,BoundaryConditions::Wrap);
+
+  stretchedBox4->setCondition(0,BoundaryConditions::Bounce);
+  stretchedBox4->setCondition(1,BoundaryConditions::Ignore);
+  stretchedBox4->setCondition(2,BoundaryConditions::Wrap);
+
+  tiltedBox1->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox1->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox1->setCondition(2,BoundaryConditions::Wrap);
+
+  tiltedBox2->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox2->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox2->setCondition(2,BoundaryConditions::Wrap);
+
+  tiltedBox3->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox3->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox3->setCondition(2,BoundaryConditions::Wrap);
+
+  tiltedBox4->setCondition(0,BoundaryConditions::Bounce);
+  tiltedBox4->setCondition(1,BoundaryConditions::Ignore);
+  tiltedBox4->setCondition(2,BoundaryConditions::Wrap);
 
   {
@@ -1646 +1646 @@
 
   // create update BoundaryConditionsChanged
-  unitBox->setCondition(0, Box::Wrap);
+  unitBox->setCondition(0, BoundaryConditions::Wrap);
   CPPUNIT_ASSERT_EQUAL((int)2, observer_general->updates);
   CPPUNIT_ASSERT_EQUAL(false, observer_matrix->wasNotified);